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

Systemtic Name: (E)-4-(4-bromophenyl)-2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-(4-bromophenyl)-2-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-(4-bromophenyl)-2-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-(4-bromophenyl)-2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-(4-bromophenyl)-4-keto-2-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]but-2-enoic acid Formula: C21H18BrN3O4 MolecularWeight: 456.28932

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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)Br)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)Br)/C(=O)O

InChI

InChI=1S/C21H18BrN3O4/c1-13-19(20(27)25(24(13)2)16-6-4-3-5-7-16)23-17(21(28)29)12-18(26)14-8-10-15(22)11-9-14/h3-12,23H,1-2H3,(H,28,29)/b17-12+