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

Systemtic Name: O1-ethyl O3-[2-oxidanylidene-2-[phenyl(propan-2-yl)amino]ethyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-ethyl O3-[2-(N-isopropylanilino)-2-oxo-ethyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[2-oxo-2-(N-propan-2-ylanilino)ethyl] ester IUPAC Name: 1-O-ethyl 3-O-[2-oxo-2-(N-propan-2-ylanilino)ethyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[2-(N-isopropylanilino)-2-keto-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)N(C2=CC=CC=C2)C(C)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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