(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl 2-(methylamino)-5-nitro-benzoate

Systemtic Name: (5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl 2-(methylamino)-5-nitro-benzoate Openeye Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl 2-(methylamino)-5-nitro-benzoate CAS Name: 2-(methylamino)-5-nitrobenzoic acid (5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl 2-(methylamino)-5-nitrobenzoate Traditional Name: 2-(methylamino)-5-nitro-benzoic acid (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl ester Formula: C19H17ClN4O4 MolecularWeight: 400.81568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC)Cl)C3=CC=CC=C3

InChI

InChI=1S/C19H17ClN4O4/c1-12-16(18(20)23(22-12)13-6-4-3-5-7-13)11-28-19(25)15-10-14(24(26)27)8-9-17(15)21-2/h3-10,21H,11H2,1-2H3