[1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(3,5-dimethylpyrazol-1-yl)benzoate

Systemtic Name: [1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(3,5-dimethylpyrazol-1-yl)benzoate Openeye Name: [1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate CAS Name: 4-(3,5-dimethyl-1-pyrazolyl)benzoic acid [1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-nitroanilino)-1-oxopropan-2-yl] 4-(3,5-dimethylpyrazol-1-yl)benzoate Traditional Name: 4-(3,5-dimethylpyrazol-1-yl)benzoic acid [2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C21H20N4O5 MolecularWeight: 408.4073

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)C(=O)OC(C)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)C(=O)OC(C)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C21H20N4O5/c1-13-11-14(2)24(23-13)18-9-7-16(8-10-18)21(27)30-15(3)20(26)22-17-5-4-6-19(12-17)25(28)29/h4-12,15H,1-3H3,(H,22,26)