O1-ethyl O3-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O1-ethyl O3-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-ethyl O3-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxo-ethyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: 1-O-ethyl 3-O-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[2-keto-2-[2-(4-methoxyphenyl)ethylamino]ethyl] ester Formula: C21H22N2O8 MolecularWeight: 430.40798

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC(=O)NCCC2=CC=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC(=O)NCCC2=CC=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O8/c1-3-30-20(25)15-10-16(12-17(11-15)23(27)28)21(26)31-13-19(24)22-9-8-14-4-6-18(29-2)7-5-14/h4-7,10-12H,3,8-9,13H2,1-2H3,(H,22,24)