[2-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl] 3-methyl-4-nitro-benzoate

Systemtic Name: [2-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl] 3-methyl-4-nitro-benzoate Openeye Name: [2-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]-2-oxo-ethyl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [2-[(5-methyl-2-phenyl-3-pyrazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [2-keto-2-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]ethyl] ester Formula: C20H18N4O5 MolecularWeight: 394.38072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4O5/c1-13-10-15(8-9-17(13)24(27)28)20(26)29-12-19(25)21-18-11-14(2)22-23(18)16-6-4-3-5-7-16/h3-11H,12H2,1-2H3,(H,21,25)