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

Systemtic Name: 3-[3-(4-dimethylaminophenyl)imino-5-isocyano-4-methyl-2,6-bis(oxidanylidene)pyridin-1-yl]-4-methoxy-benzoic acid Openeye Name: 3-[3-(4-dimethylaminophenyl)imino-5-isocyano-4-methyl-2,6-dioxo-1-pyridyl]-4-methoxy-benzoic acid CAS Name: 3-[3-(4-dimethylaminophenyl)imino-5-isocyano-4-methyl-2,6-dioxo-1-pyridinyl]-4-methoxybenzoic acid IUPAC Name: 3-[3-(4-dimethylaminophenyl)imino-5-isocyano-4-methyl-2,6-dioxopyridin-1-yl]-4-methoxybenzoic acid Traditional Name: 3-[3-(4-dimethylaminophenyl)imino-5-isocyano-2,6-diketo-4-methyl-1-pyridyl]-4-methoxy-benzoic acid Formula: C23H20N4O5 MolecularWeight: 432.4287

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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=C(C=CC(=C3)C(=O)O)OC)[N+]#[C-]

Isomeric SMILES

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

InChI

InChI=1S/C23H20N4O5/c1-13-19(24-2)21(28)27(17-12-14(23(30)31)6-11-18(17)32-5)22(29)20(13)25-15-7-9-16(10-8-15)26(3)4/h6-12H,1,3-5H3,(H,30,31)