methyl 3-nitro-4-[(4-nitrophenyl)methylamino]benzoate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)NCC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)NCC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

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