3F7
Summary
Name: | 1,1'-benzene-1,4-diylbis(1H-pyrrole-2,5-dione) |
Formula: | C14 H8 N2 O4 |
Formal charge: | 0 |
Formula weight: | 268.224 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | 1,1'-benzene-1,4-diylbis(1H-pyrrole-2,5-dione) |
OpenEye OEToolkits | 1.9.2 | 1-[4-[2,5-bis(oxidanylidene)pyrrol-1-yl]phenyl]pyrrole-2,5-dione |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C3C=CC(=O)N3c1ccc(cc1)N2C(=O)C=CC2=O |
InChI | InChI | 1.03 | InChI=1S/C14H8N2O4/c17-11-5-6-12(18)15(11)9-1-2-10(4-3-9)16-13(19)7-8-14(16)20/h1-8H |
InChIKey | InChI | 1.03 | AQGZJQNZNONGKY-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O=C1C=CC(=O)N1c2ccc(cc2)N3C(=O)C=CC3=O |
SMILES | CACTVS | 3.385 | O=C1C=CC(=O)N1c2ccc(cc2)N3C(=O)C=CC3=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(ccc1N2C(=O)C=CC2=O)N3C(=O)C=CC3=O |
SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(ccc1N2C(=O)C=CC2=O)N3C(=O)C=CC3=O |