O1-methyl O3-[1-[methyl-(phenylmethyl)amino]-1-oxidanylidene-propan-2-yl] 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O1-methyl O3-[1-[methyl-(phenylmethyl)amino]-1-oxidanylidene-propan-2-yl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-[benzyl(methyl)amino]-1-methyl-2-oxo-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-methyl ester O3-[1-[methyl-(phenylmethyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: 3-O-[1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[benzyl(methyl)amino]-2-keto-1-methyl-ethyl] ester O1-methyl ester Formula: C20H20N2O7 MolecularWeight: 400.382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O7/c1-13(18(23)21(2)12-14-7-5-4-6-8-14)29-20(25)16-9-15(19(24)28-3)10-17(11-16)22(26)27/h4-11,13H,12H2,1-3H3