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

Systemtic Name: butyl 4-[[(5E)-5-(5-methyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazol-3-yl]carbonylamino]benzoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O4/c1-3-4-12-29-22(28)15-8-10-16(11-9-15)23-21(27)19-13-18(24-25-19)17-7-5-6-14(2)20(17)26/h5-11,13,24-25H,3-4,12H2,1-2H3,(H,23,27)/b18-17+