[2-[2-methoxyethyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 2-(dimethylamino)-5-nitro-benzoate

Systemtic Name: [2-[2-methoxyethyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 2-(dimethylamino)-5-nitro-benzoate Openeye Name: [2-[benzyl(2-methoxyethyl)amino]-2-oxo-ethyl] 2-(dimethylamino)-5-nitro-benzoate CAS Name: 2-(dimethylamino)-5-nitrobenzoic acid [2-[2-methoxyethyl-(phenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl] 2-(dimethylamino)-5-nitrobenzoate Traditional Name: 2-(dimethylamino)-5-nitro-benzoic acid [2-[benzyl(2-methoxyethyl)amino]-2-keto-ethyl] ester Formula: C21H25N3O6 MolecularWeight: 415.4397

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O6/c1-22(2)19-10-9-17(24(27)28)13-18(19)21(26)30-15-20(25)23(11-12-29-3)14-16-7-5-4-6-8-16/h4-10,13H,11-12,14-15H2,1-3H3