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

Systemtic Name: O1-ethyl O3-[2-[ethyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-[benzyl(ethyl)amino]-2-oxo-ethyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[2-[ethyl-(phenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: 3-O-[2-[benzyl(ethyl)amino]-2-oxoethyl] 1-O-ethyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[benzyl(ethyl)amino]-2-keto-ethyl] ester O1-ethyl ester Formula: C21H22N2O7 MolecularWeight: 414.40858

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C(=O)COC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCN(CC1=CC=CC=C1)C(=O)COC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OCC

InChI

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