methyl 2-(2-benzamidoethylamino)-5-nitro-benzoate

Systemtic Name: methyl 2-(2-benzamidoethylamino)-5-nitro-benzoate Openeye Name: methyl 2-(2-benzamidoethylamino)-5-nitro-benzoate CAS Name: 2-(2-benzamidoethylamino)-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-(2-benzamidoethylamino)-5-nitrobenzoate Traditional Name: 2-(2-benzamidoethylamino)-5-nitro-benzoic acid methyl ester Formula: C17H17N3O5 MolecularWeight: 343.33398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O5/c1-25-17(22)14-11-13(20(23)24)7-8-15(14)18-9-10-19-16(21)12-5-3-2-4-6-12/h2-8,11,18H,9-10H2,1H3,(H,19,21)