[2-[(3-methoxyphenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 4-(methylamino)-3-nitro-benzoate

Systemtic Name: [2-[(3-methoxyphenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 4-(methylamino)-3-nitro-benzoate Openeye Name: [2-[(3-methoxyphenyl)methyl-methyl-amino]-2-oxo-ethyl] 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid [2-[(3-methoxyphenyl)methyl-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid [2-keto-2-[m-anisyl(methyl)amino]ethyl] ester Formula: C19H21N3O6 MolecularWeight: 387.38654

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)OCC(=O)N(C)CC2=CC(=CC=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)OCC(=O)N(C)CC2=CC(=CC=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O6/c1-20-16-8-7-14(10-17(16)22(25)26)19(24)28-12-18(23)21(2)11-13-5-4-6-15(9-13)27-3/h4-10,20H,11-12H2,1-3H3