2-[3-cyano-1-(4-nitrophenyl)-2-oxidanylidene-4a,9b-dihydropyrido[3,2-b]indol-5-yl]ethanoic acid

Systemtic Name: 2-[3-cyano-1-(4-nitrophenyl)-2-oxidanylidene-4a,9b-dihydropyrido[3,2-b]indol-5-yl]ethanoic acid Openeye Name: 2-[3-cyano-1-(4-nitrophenyl)-2-oxo-4a,9b-dihydropyrido[3,2-b]indol-5-yl]acetic acid CAS Name: 2-[3-cyano-1-(4-nitrophenyl)-2-oxo-4a,9b-dihydropyrido[3,2-b]indol-5-yl]acetic acid IUPAC Name: 2-[3-cyano-1-(4-nitrophenyl)-2-oxo-4a,9b-dihydropyrido[3,2-b]indol-5-yl]acetic acid Traditional Name: 2-[3-cyano-2-keto-1-(4-nitrophenyl)-4a,9b-dihydropyrid[3,2-b]indol-5-yl]acetic acid Formula: C20H14N4O5 MolecularWeight: 390.34896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3C(N2CC(=O)O)C=C(C(=O)N3C4=CC=C(C=C4)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC=C2C(=C1)C3C(N2CC(=O)O)C=C(C(=O)N3C4=CC=C(C=C4)[N+](=O)[O-])C#N

InChI

InChI=1S/C20H14N4O5/c21-10-12-9-17-19(15-3-1-2-4-16(15)22(17)11-18(25)26)23(20(12)27)13-5-7-14(8-6-13)24(28)29/h1-9,17,19H,11H2,(H,25,26)