methyl 4-[[(3,4,5-trimethoxy-2-nitro-phenyl)carbonylamino]methyl]benzoate

Systemtic Name: methyl 4-[[(3,4,5-trimethoxy-2-nitro-phenyl)carbonylamino]methyl]benzoate Openeye Name: methyl 4-[[(3,4,5-trimethoxy-2-nitro-benzoyl)amino]methyl]benzoate CAS Name: 4-[[[oxo-(3,4,5-trimethoxy-2-nitrophenyl)methyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(3,4,5-trimethoxy-2-nitrobenzoyl)amino]methyl]benzoate Traditional Name: 4-[[(3,4,5-trimethoxy-2-nitro-benzoyl)amino]methyl]benzoic acid methyl ester Formula: C19H20N2O8 MolecularWeight: 404.3707

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C(=O)NCC2=CC=C(C=C2)C(=O)OC)[N+](=O)[O-])OC)OC

Isomeric SMILES

COC1=C(C(=C(C(=C1)C(=O)NCC2=CC=C(C=C2)C(=O)OC)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C19H20N2O8/c1-26-14-9-13(15(21(24)25)17(28-3)16(14)27-2)18(22)20-10-11-5-7-12(8-6-11)19(23)29-4/h5-9H,10H2,1-4H3,(H,20,22)