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

Systemtic Name: (Z)-2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-4-(4-methoxyphenyl)-4-oxidanylidene-but-2-enoic acid Openeye Name: (Z)-2-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-4-(4-methoxyphenyl)-4-oxo-but-2-enoic acid CAS Name: (Z)-2-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-4-(4-methoxyphenyl)-4-oxo-2-butenoic acid IUPAC Name: (Z)-2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-4-(4-methoxyphenyl)-4-oxobut-2-enoic acid Traditional Name: (Z)-4-keto-2-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]-4-(4-methoxyphenyl)but-2-enoic acid Formula: C22H21N3O5 MolecularWeight: 407.41924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=CC(=O)C3=CC=C(C=C3)OC)C(=O)O

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N/C(=C\C(=O)C3=CC=C(C=C3)OC)/C(=O)O

InChI

InChI=1S/C22H21N3O5/c1-14-20(21(27)25(24(14)2)16-7-5-4-6-8-16)23-18(22(28)29)13-19(26)15-9-11-17(30-3)12-10-15/h4-13,23H,1-3H3,(H,28,29)/b18-13-