(E)-4-[[1-[(2-methylphenyl)methyl]pyrazol-4-yl]amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[[1-[(2-methylphenyl)methyl]pyrazol-4-yl]amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[[1-(o-tolylmethyl)pyrazol-4-yl]amino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[[1-[(2-methylphenyl)methyl]-4-pyrazolyl]amino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[[1-[(2-methylphenyl)methyl]pyrazol-4-yl]amino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-keto-4-[[1-(2-methylbenzyl)pyrazol-4-yl]amino]but-2-enoic acid Formula: C15H15N3O3 MolecularWeight: 285.2979

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C=C(C=N2)NC(=O)C=CC(=O)O

Isomeric SMILES

CC1=CC=CC=C1CN2C=C(C=N2)NC(=O)/C=C/C(=O)O

InChI

InChI=1S/C15H15N3O3/c1-11-4-2-3-5-12(11)9-18-10-13(8-16-18)17-14(19)6-7-15(20)21/h2-8,10H,9H2,1H3,(H,17,19)(H,20,21)/b7-6+