(2-nitrophenyl)methyl 4-(methylamino)-3-nitro-benzoate

Systemtic Name: (2-nitrophenyl)methyl 4-(methylamino)-3-nitro-benzoate Openeye Name: (2-nitrophenyl)methyl 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid (2-nitrobenzyl) ester Formula: C15H13N3O6 MolecularWeight: 331.28022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N3O6/c1-16-12-7-6-10(8-14(12)18(22)23)15(19)24-9-11-4-2-3-5-13(11)17(20)21/h2-8,16H,9H2,1H3