4-[[5-cyano-4-methyl-2,6-bis(oxidanylidene)-1-(phenylmethyl)pyridin-3-ylidene]methylamino]benzoic acid

Systemtic Name: 4-[[5-cyano-4-methyl-2,6-bis(oxidanylidene)-1-(phenylmethyl)pyridin-3-ylidene]methylamino]benzoic acid Openeye Name: 4-[(1-benzyl-5-cyano-4-methyl-2,6-dioxo-3-pyridylidene)methylamino]benzoic acid CAS Name: 4-[[5-cyano-4-methyl-2,6-dioxo-1-(phenylmethyl)-3-pyridinylidene]methylamino]benzoic acid IUPAC Name: 4-[(1-benzyl-5-cyano-4-methyl-2,6-dioxopyridin-3-ylidene)methylamino]benzoic acid Traditional Name: 4-[(1-benzyl-5-cyano-2,6-diketo-4-methyl-3-pyridylidene)methylamino]benzoic acid Formula: C22H17N3O4 MolecularWeight: 387.38808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=O)C1=CNC2=CC=C(C=C2)C(=O)O)CC3=CC=CC=C3)C#N

Isomeric SMILES

CC1=C(C(=O)N(C(=O)C1=CNC2=CC=C(C=C2)C(=O)O)CC3=CC=CC=C3)C#N

InChI

InChI=1S/C22H17N3O4/c1-14-18(11-23)20(26)25(13-15-5-3-2-4-6-15)21(27)19(14)12-24-17-9-7-16(8-10-17)22(28)29/h2-10,12,24H,13H2,1H3,(H,28,29)