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Summary Geometry Related PDB entries

M8G

Summary

Name:	N-{2-[(1E)-3-(hydroxyamino)-3-oxoprop-1-en-1-yl]phenyl}-2-phenoxybenzamide
Formula:	C22 H18 N2 O4
Formal charge:	0
Formula weight:	374.389 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-{2-[(1E)-3-(hydroxyamino)-3-oxoprop-1-en-1-yl]phenyl}-2-phenoxybenzamide
OpenEye OEToolkits	2.0.7	~{N}-[2-[(~{E})-3-(oxidanylamino)-3-oxidanylidene-prop-1-enyl]phenyl]-2-phenoxy-benzamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1cc(ccc1)Oc2ccccc2C(Nc3ccccc3\C=C\C(=O)NO)=O
InChI	InChI	1.03	InChI=1S/C22H18N2O4/c25-21(24-27)15-14-16-8-4-6-12-19(16)23-22(26)18-11-5-7-13-20(18)28-17-9-2-1-3-10-17/h1-15,27H,(H,23,26)(H,24,25)/b15-14+
InChIKey	InChI	1.03	URROCBSFNUKVTR-CCEZHUSRSA-N
SMILES_CANONICAL	CACTVS	3.385	ONC(=O)/C=C/c1ccccc1NC(=O)c2ccccc2Oc3ccccc3
SMILES	CACTVS	3.385	ONC(=O)C=Cc1ccccc1NC(=O)c2ccccc2Oc3ccccc3
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1ccc(cc1)Oc2ccccc2C(=O)Nc3ccccc3/C=C/C(=O)NO
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)Oc2ccccc2C(=O)Nc3ccccc3C=CC(=O)NO

222415

PDB entries from 2024-07-10

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