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

Systemtic Name: 7-[(3-nitrophenyl)amino]-6-(thiophen-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one Openeye Name: 7-(3-nitroanilino)-6-(2-thienylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one CAS Name: 7-(3-nitroanilino)-6-(thiophen-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one IUPAC Name: 7-(3-nitroanilino)-6-(thiophen-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one Traditional Name: 7-(3-nitroanilino)-6-(2-thenyl)-7H-pyrrolo[3,4-b]pyridin-5-one Formula: C18H14N4O3S MolecularWeight: 366.39376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14N4O3S/c23-18-15-7-2-8-19-16(15)17(21(18)11-14-6-3-9-26-14)20-12-4-1-5-13(10-12)22(24)25/h1-10,17,20H,11H2