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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC(=O)NCCCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC(=O)NCCCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O7/c1-2-29-20(25)16-11-17(13-18(12-16)23(27)28)21(26)30-14-19(24)22-10-6-9-15-7-4-3-5-8-15/h3-5,7-8,11-13H,2,6,9-10,14H2,1H3,(H,22,24)