[2-[(2,5-diphenylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl] 3-methyl-2-nitro-benzoate

Systemtic Name: [2-[(2,5-diphenylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl] 3-methyl-2-nitro-benzoate Openeye Name: [2-[(2,5-diphenylpyrazol-3-yl)amino]-2-oxo-ethyl] 3-methyl-2-nitro-benzoate CAS Name: 3-methyl-2-nitrobenzoic acid [2-[(2,5-diphenyl-3-pyrazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2,5-diphenylpyrazol-3-yl)amino]-2-oxoethyl] 3-methyl-2-nitrobenzoate Traditional Name: 3-methyl-2-nitro-benzoic acid [2-[(2,5-diphenylpyrazol-3-yl)amino]-2-keto-ethyl] ester Formula: C25H20N4O5 MolecularWeight: 456.4501

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)OCC(=O)NC2=CC(=NN2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)OCC(=O)NC2=CC(=NN2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H20N4O5/c1-17-9-8-14-20(24(17)29(32)33)25(31)34-16-23(30)26-22-15-21(18-10-4-2-5-11-18)27-28(22)19-12-6-3-7-13-19/h2-15H,16H2,1H3,(H,26,30)