O1-methyl O3-[2-[(2-methylphenyl)methylamino]-2-oxidanylidene-ethyl] 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O1-methyl O3-[2-[(2-methylphenyl)methylamino]-2-oxidanylidene-ethyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-methyl O3-[2-(o-tolylmethylamino)-2-oxo-ethyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-methyl ester O3-[2-[(2-methylphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: 1-O-methyl 3-O-[2-[(2-methylphenyl)methylamino]-2-oxoethyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-keto-2-[(2-methylbenzyl)amino]ethyl] ester O1-methyl ester Formula: C19H18N2O7 MolecularWeight: 386.35542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)COC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)COC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H18N2O7/c1-12-5-3-4-6-13(12)10-20-17(22)11-28-19(24)15-7-14(18(23)27-2)8-16(9-15)21(25)26/h3-9H,10-11H2,1-2H3,(H,20,22)