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

Systemtic Name: [2-[(4-methoxyphenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 4-(dimethylamino)-3-nitro-benzoate Openeye Name: [2-[(4-methoxyphenyl)methyl-methyl-amino]-2-oxo-ethyl] 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid [2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-nitro-benzoic acid [2-keto-2-[methyl(p-anisyl)amino]ethyl] ester Formula: C20H23N3O6 MolecularWeight: 401.41312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O6/c1-21(2)17-10-7-15(11-18(17)23(26)27)20(25)29-13-19(24)22(3)12-14-5-8-16(28-4)9-6-14/h5-11H,12-13H2,1-4H3