(4-pyrazol-1-ylphenyl)methyl 2-(methylamino)-5-nitro-benzoate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 2-(methylamino)-5-nitro-benzoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 2-(methylamino)-5-nitro-benzoate CAS Name: 2-(methylamino)-5-nitrobenzoic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 2-(methylamino)-5-nitrobenzoate Traditional Name: 2-(methylamino)-5-nitro-benzoic acid (4-pyrazol-1-ylbenzyl) ester Formula: C18H16N4O4 MolecularWeight: 352.34404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC2=CC=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C18H16N4O4/c1-19-17-8-7-15(22(24)25)11-16(17)18(23)26-12-13-3-5-14(6-4-13)21-10-2-9-20-21/h2-11,19H,12H2,1H3