[2-[2-methoxyethyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 4-methyl-3-nitro-benzoate

Systemtic Name: [2-[2-methoxyethyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 4-methyl-3-nitro-benzoate Openeye Name: [2-[benzyl(2-methoxyethyl)amino]-2-oxo-ethyl] 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid [2-[2-methoxyethyl-(phenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl] 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid [2-[benzyl(2-methoxyethyl)amino]-2-keto-ethyl] ester Formula: C20H22N2O6 MolecularWeight: 386.39848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)N(CCOC)CC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)N(CCOC)CC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O6/c1-15-8-9-17(12-18(15)22(25)26)20(24)28-14-19(23)21(10-11-27-2)13-16-6-4-3-5-7-16/h3-9,12H,10-11,13-14H2,1-2H3