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

Systemtic Name: 3-[3-(4-dimethylaminophenyl)imino-5-isocyano-4-methyl-2,6-bis(oxidanylidene)pyridin-1-yl]-4-oxidanyl-benzoic acid Openeye Name: 3-[3-(4-dimethylaminophenyl)imino-5-isocyano-4-methyl-2,6-dioxo-1-pyridyl]-4-hydroxy-benzoic acid CAS Name: 3-[3-(4-dimethylaminophenyl)imino-5-isocyano-4-methyl-2,6-dioxo-1-pyridinyl]-4-hydroxybenzoic acid IUPAC Name: 3-[3-(4-dimethylaminophenyl)imino-5-isocyano-4-methyl-2,6-dioxopyridin-1-yl]-4-hydroxybenzoic acid Traditional Name: 3-[3-(4-dimethylaminophenyl)imino-5-isocyano-2,6-diketo-4-methyl-1-pyridyl]-4-hydroxy-benzoic acid Formula: C22H18N4O5 MolecularWeight: 418.40212

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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)O)[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)O)[N+]#[C-]

InChI

InChI=1S/C22H18N4O5/c1-12-18(23-2)20(28)26(16-11-13(22(30)31)5-10-17(16)27)21(29)19(12)24-14-6-8-15(9-7-14)25(3)4/h5-11,27H,1,3-4H3,(H,30,31)