3-[(E)-[1-(4-acetamidophenyl)carbonyl-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methyl]-N-oxidanyl-benzeneamine oxide

Systemtic Name: 3-[(E)-[1-(4-acetamidophenyl)carbonyl-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methyl]-N-oxidanyl-benzeneamine oxide Openeye Name: 3-[(E)-[1-(4-acetamidobenzoyl)-3-methyl-5-oxo-pyrazol-4-ylidene]methyl]-N-hydroxy-benzeneamine oxide CAS Name: 3-[(E)-[1-[(4-acetamidophenyl)-oxomethyl]-3-methyl-5-oxo-4-pyrazolylidene]methyl]-N-hydroxybenzeneamine oxide IUPAC Name: 3-[(E)-[1-(4-acetamidobenzoyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]-N-hydroxybenzeneamine oxide Traditional Name: 3-[(E)-[1-(4-acetamidobenzoyl)-5-keto-3-methyl-2-pyrazolin-4-ylidene]methyl]-N-hydroxy-benzeneamine oxide Formula: C20H18N4O5 MolecularWeight: 394.38072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC(=CC=C2)[NH+](O)[O-])C(=O)C3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/C2=CC(=CC=C2)[NH+](O)[O-])C(=O)C3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C20H18N4O5/c1-12-18(11-14-4-3-5-17(10-14)24(28)29)20(27)23(22-12)19(26)15-6-8-16(9-7-15)21-13(2)25/h3-11,24,28H,1-2H3,(H,21,25)/b18-11+