[2-[2-(2-methoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 4-methoxy-3-nitro-benzoate

Systemtic Name: [2-[2-(2-methoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 4-methoxy-3-nitro-benzoate Openeye Name: [2-[2-(2-methoxyphenyl)ethylamino]-2-oxo-ethyl] 4-methoxy-3-nitro-benzoate CAS Name: 4-methoxy-3-nitrobenzoic acid [2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 4-methoxy-3-nitrobenzoate Traditional Name: 4-methoxy-3-nitro-benzoic acid [2-keto-2-[2-(2-methoxyphenyl)ethylamino]ethyl] ester Formula: C19H20N2O7 MolecularWeight: 388.3713

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC(=O)NCCC2=CC=CC=C2OC)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC(=O)NCCC2=CC=CC=C2OC)[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O7/c1-26-16-6-4-3-5-13(16)9-10-20-18(22)12-28-19(23)14-7-8-17(27-2)15(11-14)21(24)25/h3-8,11H,9-10,12H2,1-2H3,(H,20,22)