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

Systemtic Name: 5-[3-(4-dimethylaminophenyl)imino-5-isocyano-4-methyl-2,6-bis(oxidanylidene)pyridin-1-yl]benzene-1,3-dicarboxylic acid Openeye Name: 5-[3-(4-dimethylaminophenyl)imino-5-isocyano-4-methyl-2,6-dioxo-1-pyridyl]benzene-1,3-dicarboxylic acid CAS Name: 5-[3-(4-dimethylaminophenyl)imino-5-isocyano-4-methyl-2,6-dioxo-1-pyridinyl]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[3-(4-dimethylaminophenyl)imino-5-isocyano-4-methyl-2,6-dioxopyridin-1-yl]benzene-1,3-dicarboxylic acid Traditional Name: 5-[3-(4-dimethylaminophenyl)imino-5-isocyano-2,6-diketo-4-methyl-1-pyridyl]isophthalic acid Formula: C23H18N4O6 MolecularWeight: 446.41222

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

InChI

InChI=1S/C23H18N4O6/c1-12-18(24-2)20(28)27(17-10-13(22(30)31)9-14(11-17)23(32)33)21(29)19(12)25-15-5-7-16(8-6-15)26(3)4/h5-11H,1,3-4H3,(H,30,31)(H,32,33)