methyl 3-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C20H18N4O6 MolecularWeight: 410.38012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C20H18N4O6/c1-12-17(19(26)23(22(12)2)15-7-5-4-6-8-15)21-18(25)13-9-14(20(27)30-3)11-16(10-13)24(28)29/h4-11H,1-3H3,(H,21,25)