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936

Summary

Name:	5-METHOXY-1,2-DIMETHYL-3-(4-NITROPHENOXYMETHYL)INDOLE-4,7-DIONE
Formula:	C18 H16 N2 O6
Formal charge:	0
Formula weight:	356.329 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	10.04	5-methoxy-1,2-dimethyl-3-[(4-nitrophenoxy)methyl]-1H-indole-4,7-dione
OpenEye OEToolkits	1.5.0	5-methoxy-1,2-dimethyl-3-[(4-nitrophenoxy)methyl]indole-4,7-dione

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	[O-][N+](=O)c3ccc(OCc2c1c(C(=O)C=C(OC)C1=O)n(c2C)C)cc3
SMILES_CANONICAL	CACTVS	3.341	COC1=CC(=O)c2n(C)c(C)c(COc3ccc(cc3)[N+]([O-])=O)c2C1=O
SMILES	CACTVS	3.341	COC1=CC(=O)c2n(C)c(C)c(COc3ccc(cc3)[N+]([O-])=O)c2C1=O
SMILES_CANONICAL	OpenEye OEToolkits	1.5.0	Cc1c(c2c(n1C)C(=O)C=C(C2=O)OC)COc3ccc(cc3)[N+](=O)[O-]
SMILES	OpenEye OEToolkits	1.5.0	Cc1c(c2c(n1C)C(=O)C=C(C2=O)OC)COc3ccc(cc3)[N+](=O)[O-]
InChI	InChI	1.03	InChI=1S/C18H16N2O6/c1-10-13(9-26-12-6-4-11(5-7-12)20(23)24)16-17(19(10)2)14(21)8-15(25-3)18(16)22/h4-8H,9H2,1-3H3
InChIKey	InChI	1.03	IBLWSLZYYZHSRG-UHFFFAOYSA-N

218500

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