methyl (E)-2-chloranyl-3-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]but-2-enoate

Systemtic Name: methyl (E)-2-chloranyl-3-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]but-2-enoate Openeye Name: methyl (E)-2-chloro-3-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]but-2-enoate CAS Name: (E)-2-chloro-3-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-2-butenoic acid methyl ester IUPAC Name: methyl (E)-2-chloro-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]but-2-enoate Traditional Name: (E)-2-chloro-3-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]but-2-enoic acid methyl ester Formula: C16H18ClN3O3 MolecularWeight: 335.78542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18ClN3O3/c1-10(13(17)16(22)23-4)18-14-11(2)19(3)20(15(14)21)12-8-6-5-7-9-12/h5-9,18H,1-4H3/b13-10+