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

Systemtic Name: O1-ethyl 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-ethyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl 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-ethyl 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-ethyl ester Formula: C21H22N2O7 MolecularWeight: 414.40858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O7/c1-4-29-20(25)16-10-17(12-18(11-16)23(27)28)21(26)30-14(2)19(24)22(3)13-15-8-6-5-7-9-15/h5-12,14H,4,13H2,1-3H3