[2-[(4-ethoxy-3-methoxy-phenyl)methyl-ethyl-amino]-2-oxidanylidene-ethyl] 3-nitrobenzoate

Systemtic Name: [2-[(4-ethoxy-3-methoxy-phenyl)methyl-ethyl-amino]-2-oxidanylidene-ethyl] 3-nitrobenzoate Openeye Name: [2-[(4-ethoxy-3-methoxy-phenyl)methyl-ethyl-amino]-2-oxo-ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-2-oxoethyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-[(4-ethoxy-3-methoxy-benzyl)-ethyl-amino]-2-keto-ethyl] ester Formula: C21H24N2O7 MolecularWeight: 416.42446

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC(=C(C=C1)OCC)OC)C(=O)COC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCN(CC1=CC(=C(C=C1)OCC)OC)C(=O)COC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H24N2O7/c1-4-22(13-15-9-10-18(29-5-2)19(11-15)28-3)20(24)14-30-21(25)16-7-6-8-17(12-16)23(26)27/h6-12H,4-5,13-14H2,1-3H3