2-[3-(4-dimethylaminophenyl)imino-5-isocyano-4-methyl-2,6-bis(oxidanylidene)pyridin-1-yl]benzoic acid

Systemtic Name: 2-[3-(4-dimethylaminophenyl)imino-5-isocyano-4-methyl-2,6-bis(oxidanylidene)pyridin-1-yl]benzoic acid Openeye Name: 2-[3-(4-dimethylaminophenyl)imino-5-isocyano-4-methyl-2,6-dioxo-1-pyridyl]benzoic acid CAS Name: 2-[3-(4-dimethylaminophenyl)imino-5-isocyano-4-methyl-2,6-dioxo-1-pyridinyl]benzoic acid IUPAC Name: 2-[3-(4-dimethylaminophenyl)imino-5-isocyano-4-methyl-2,6-dioxopyridin-1-yl]benzoic acid Traditional Name: 2-[3-(4-dimethylaminophenyl)imino-5-isocyano-2,6-diketo-4-methyl-1-pyridyl]benzoic acid Formula: C22H18N4O4 MolecularWeight: 402.40272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=O)C1=NC2=CC=C(C=C2)N(C)C)C3=CC=CC=C3C(=O)O)[N+]#[C-]

Isomeric SMILES

CC1=C(C(=O)N(C(=O)C1=NC2=CC=C(C=C2)N(C)C)C3=CC=CC=C3C(=O)O)[N+]#[C-]

InChI

InChI=1S/C22H18N4O4/c1-13-18(23-2)20(27)26(17-8-6-5-7-16(17)22(29)30)21(28)19(13)24-14-9-11-15(12-10-14)25(3)4/h5-12H,1,3-4H3,(H,29,30)