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

Systemtic Name: [1-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)iminomethyl]naphthalen-2-yl] 3-nitrobenzoate Openeye Name: [1-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)iminomethyl]-2-naphthyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [1-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)iminomethyl]-2-naphthalenyl] ester IUPAC Name: [1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)iminomethyl]naphthalen-2-yl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [1-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)iminomethyl]-2-naphthyl] ester Formula: C29H22N4O5 MolecularWeight: 506.50878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=C(C=CC4=CC=CC=C43)OC(=O)C5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=C(C=CC4=CC=CC=C43)OC(=O)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C29H22N4O5/c1-19-27(28(34)32(31(19)2)22-11-4-3-5-12-22)30-18-25-24-14-7-6-9-20(24)15-16-26(25)38-29(35)21-10-8-13-23(17-21)33(36)37/h3-18H,1-2H3