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

Systemtic Name: 4-[[5-cyano-1,4-dimethyl-2,6-bis(oxidanylidene)pyridin-3-ylidene]methylamino]benzoic acid Openeye Name: 4-[(5-cyano-1,4-dimethyl-2,6-dioxo-3-pyridylidene)methylamino]benzoic acid CAS Name: 4-[(5-cyano-1,4-dimethyl-2,6-dioxo-3-pyridinylidene)methylamino]benzoic acid IUPAC Name: 4-[(5-cyano-1,4-dimethyl-2,6-dioxopyridin-3-ylidene)methylamino]benzoic acid Traditional Name: 4-[(5-cyano-2,6-diketo-1,4-dimethyl-3-pyridylidene)methylamino]benzoic acid Formula: C16H13N3O4 MolecularWeight: 311.29212

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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)C)C#N

Isomeric SMILES

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

InChI

InChI=1S/C16H13N3O4/c1-9-12(7-17)14(20)19(2)15(21)13(9)8-18-11-5-3-10(4-6-11)16(22)23/h3-6,8,18H,1-2H3,(H,22,23)