[4-[(1-phenylpyrazol-3-yl)amino]phenyl] 2,6-dimethyl-4-nitro-benzoate

Systemtic Name: [4-[(1-phenylpyrazol-3-yl)amino]phenyl] 2,6-dimethyl-4-nitro-benzoate Openeye Name: [4-[(1-phenylpyrazol-3-yl)amino]phenyl] 2,6-dimethyl-4-nitro-benzoate CAS Name: 2,6-dimethyl-4-nitrobenzoic acid [4-[(1-phenyl-3-pyrazolyl)amino]phenyl] ester IUPAC Name: [4-[(1-phenylpyrazol-3-yl)amino]phenyl] 2,6-dimethyl-4-nitrobenzoate Traditional Name: 2,6-dimethyl-4-nitro-benzoic acid [4-[(1-phenylpyrazol-3-yl)amino]phenyl] ester Formula: C24H20N4O4 MolecularWeight: 428.44

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C(=O)OC2=CC=C(C=C2)NC3=NN(C=C3)C4=CC=CC=C4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C(=O)OC2=CC=C(C=C2)NC3=NN(C=C3)C4=CC=CC=C4)C)[N+](=O)[O-]

InChI

InChI=1S/C24H20N4O4/c1-16-14-20(28(30)31)15-17(2)23(16)24(29)32-21-10-8-18(9-11-21)25-22-12-13-27(26-22)19-6-4-3-5-7-19/h3-15H,1-2H3,(H,25,26)