(Z)-4-[(1,2-dimethyl-4-oxidanylidene-3-phenyl-3H-pyrazol-1-ium-5-yl)amino]-3-methyl-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (Z)-4-[(1,2-dimethyl-4-oxidanylidene-3-phenyl-3H-pyrazol-1-ium-5-yl)amino]-3-methyl-4-oxidanylidene-but-2-enoic acid Openeye Name: (Z)-4-[(1,2-dimethyl-4-oxo-3-phenyl-3H-pyrazol-1-ium-5-yl)amino]-3-methyl-4-oxo-but-2-enoic acid CAS Name: (Z)-4-[(1,2-dimethyl-4-oxo-3-phenyl-3H-pyrazol-1-ium-5-yl)amino]-3-methyl-4-oxo-2-butenoic acid IUPAC Name: (Z)-4-[(1,2-dimethyl-4-oxo-3-phenyl-3H-pyrazol-1-ium-5-yl)amino]-3-methyl-4-oxobut-2-enoic acid Traditional Name: (Z)-4-keto-4-[(4-keto-1,2-dimethyl-5-phenyl-2-pyrazolin-2-ium-3-yl)amino]-3-methyl-but-2-enoic acid Formula: C16H18N3O4+ MolecularWeight: 316.33182

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)O)C(=O)NC1=[N+](N(C(C1=O)C2=CC=CC=C2)C)C

Isomeric SMILES

C/C(=C/C(=O)O)/C(=O)NC1=[N+](N(C(C1=O)C2=CC=CC=C2)C)C

InChI

InChI=1S/C16H17N3O4/c1-10(9-12(20)21)16(23)17-15-14(22)13(18(2)19(15)3)11-7-5-4-6-8-11/h4-9,13H,1-3H3,(H,20,21)/p+1/b10-9-