[4-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)iminomethyl]-2-nitro-phenyl] 3-methylbenzoate

Systemtic Name: [4-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)iminomethyl]-2-nitro-phenyl] 3-methylbenzoate Openeye Name: [4-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)iminomethyl]-2-nitro-phenyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [4-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)iminomethyl]-2-nitrophenyl] ester IUPAC Name: [4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)iminomethyl]-2-nitrophenyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [4-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)iminomethyl]-2-nitro-phenyl] ester Formula: C26H22N4O5 MolecularWeight: 470.47668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OC2=C(C=C(C=C2)C=NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OC2=C(C=C(C=C2)C=NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C)[N+](=O)[O-]

InChI

InChI=1S/C26H22N4O5/c1-17-8-7-9-20(14-17)26(32)35-23-13-12-19(15-22(23)30(33)34)16-27-24-18(2)28(3)29(25(24)31)21-10-5-4-6-11-21/h4-16H,1-3H3