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

Systemtic Name: [2-[2-(2-methoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 3-methyl-4-nitro-benzoate Openeye Name: [2-[2-(2-methoxyphenyl)ethylamino]-2-oxo-ethyl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [2-keto-2-[2-(2-methoxyphenyl)ethylamino]ethyl] ester Formula: C19H20N2O6 MolecularWeight: 372.3719

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OCC(=O)NCCC2=CC=CC=C2OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OCC(=O)NCCC2=CC=CC=C2OC)[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O6/c1-13-11-15(7-8-16(13)21(24)25)19(23)27-12-18(22)20-10-9-14-5-3-4-6-17(14)26-2/h3-8,11H,9-10,12H2,1-2H3,(H,20,22)