4-[[1-(3,4-dimethylphenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methylamino]butanoate

Systemtic Name: 4-[[1-(3,4-dimethylphenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methylamino]butanoate Openeye Name: 4-[[1-(3,4-dimethylphenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]methylamino]butanoate CAS Name: 4-[[1-(3,4-dimethylphenyl)-3-methyl-5-oxo-4-pyrazolylidene]methylamino]butanoate IUPAC Name: 4-[[1-(3,4-dimethylphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methylamino]butanoate Traditional Name: 4-[[1-(3,4-dimethylphenyl)-5-keto-3-methyl-2-pyrazolin-4-ylidene]methylamino]butyrate Formula: C17H20N3O3- MolecularWeight: 314.359

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C(=CNCCCC(=O)[O-])C(=N2)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C(=CNCCCC(=O)[O-])C(=N2)C)C

InChI

InChI=1S/C17H21N3O3/c1-11-6-7-14(9-12(11)2)20-17(23)15(13(3)19-20)10-18-8-4-5-16(21)22/h6-7,9-10,18H,4-5,8H2,1-3H3,(H,21,22)/p-1