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

Systemtic Name: 7-[(4-fluoranyl-3-nitro-phenyl)amino]-6-(thiophen-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one Openeye Name: 7-(4-fluoro-3-nitro-anilino)-6-(2-thienylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one CAS Name: 7-(4-fluoro-3-nitroanilino)-6-(thiophen-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one IUPAC Name: 7-(4-fluoro-3-nitroanilino)-6-(thiophen-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one Traditional Name: 7-(4-fluoro-3-nitro-anilino)-6-(2-thenyl)-7H-pyrrolo[3,4-b]pyridin-5-one Formula: C18H13FN4O3S MolecularWeight: 384.384223

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(N(C2=O)CC3=CC=CS3)NC4=CC(=C(C=C4)F)[N+](=O)[O-])N=C1

Isomeric SMILES

C1=CC2=C(C(N(C2=O)CC3=CC=CS3)NC4=CC(=C(C=C4)F)[N+](=O)[O-])N=C1

InChI

InChI=1S/C18H13FN4O3S/c19-14-6-5-11(9-15(14)23(25)26)21-17-16-13(4-1-7-20-16)18(24)22(17)10-12-3-2-8-27-12/h1-9,17,21H,10H2