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

Systemtic Name: [2-[(2-methoxyphenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 4-ethoxy-3-nitro-benzoate Openeye Name: [2-[(2-methoxyphenyl)methyl-methyl-amino]-2-oxo-ethyl] 4-ethoxy-3-nitro-benzoate CAS Name: 4-ethoxy-3-nitrobenzoic acid [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 4-ethoxy-3-nitrobenzoate Traditional Name: 4-ethoxy-3-nitro-benzoic acid [2-keto-2-[methyl(o-anisyl)amino]ethyl] ester Formula: C20H22N2O7 MolecularWeight: 402.39788

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)N(C)CC2=CC=CC=C2OC)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)N(C)CC2=CC=CC=C2OC)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O7/c1-4-28-18-10-9-14(11-16(18)22(25)26)20(24)29-13-19(23)21(2)12-15-7-5-6-8-17(15)27-3/h5-11H,4,12-13H2,1-3H3