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

Systemtic Name: ethyl 4-[[(5E)-5-(5-methyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazol-3-yl]carbonylamino]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C20H19N3O4 MolecularWeight: 365.38256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=C3C=CC=C(C3=O)C)NN2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C/C(=C\3/C=CC=C(C3=O)C)/NN2

InChI

InChI=1S/C20H19N3O4/c1-3-27-20(26)13-7-9-14(10-8-13)21-19(25)17-11-16(22-23-17)15-6-4-5-12(2)18(15)24/h4-11,22-23H,3H2,1-2H3,(H,21,25)/b16-15+