methyl 4-[[(5E)-5-(5-methyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazol-3-yl]carbonylamino]benzoate

Systemtic Name: methyl 4-[[(5E)-5-(5-methyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazol-3-yl]carbonylamino]benzoate Openeye Name: methyl 4-[[(5E)-5-(5-methyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carbonyl]amino]benzoate CAS Name: 4-[[[(5E)-5-(5-methyl-6-oxo-1-cyclohexa-2,4-dienylidene)-1,2-dihydropyrazol-3-yl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(5E)-5-(5-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carbonyl]amino]benzoate Traditional Name: 4-[[(5E)-5-(6-keto-5-methyl-cyclohexa-2,4-dien-1-ylidene)-3-pyrazoline-3-carbonyl]amino]benzoic acid methyl ester Formula: C19H17N3O4 MolecularWeight: 351.35598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C2C=C(NN2)C(=O)NC3=CC=C(C=C3)C(=O)OC)C1=O

Isomeric SMILES

CC1=CC=C/C(=C\2/C=C(NN2)C(=O)NC3=CC=C(C=C3)C(=O)OC)/C1=O

InChI

InChI=1S/C19H17N3O4/c1-11-4-3-5-14(17(11)23)15-10-16(22-21-15)18(24)20-13-8-6-12(7-9-13)19(25)26-2/h3-10,21-22H,1-2H3,(H,20,24)/b15-14+