7-[(2-methoxy-4-nitro-phenyl)amino]-6-(thiophen-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one

Systemtic Name: 7-[(2-methoxy-4-nitro-phenyl)amino]-6-(thiophen-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one Openeye Name: 7-(2-methoxy-4-nitro-anilino)-6-(2-thienylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one CAS Name: 7-(2-methoxy-4-nitroanilino)-6-(thiophen-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one IUPAC Name: 7-(2-methoxy-4-nitroanilino)-6-(thiophen-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one Traditional Name: 7-(2-methoxy-4-nitro-anilino)-6-(2-thenyl)-7H-pyrrolo[3,4-b]pyridin-5-one Formula: C19H16N4O4S MolecularWeight: 396.41974

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC2C3=C(C=CC=N3)C(=O)N2CC4=CC=CS4

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC2C3=C(C=CC=N3)C(=O)N2CC4=CC=CS4

InChI

InChI=1S/C19H16N4O4S/c1-27-16-10-12(23(25)26)6-7-15(16)21-18-17-14(5-2-8-20-17)19(24)22(18)11-13-4-3-9-28-13/h2-10,18,21H,11H2,1H3