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

Systemtic Name: O1-ethyl O3-[2-oxidanylidene-2-[(phenylmethyl)-propan-2-yl-amino]ethyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-[benzyl(isopropyl)amino]-2-oxo-ethyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[2-oxo-2-[(phenylmethyl)-propan-2-ylamino]ethyl] ester IUPAC Name: 3-O-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 1-O-ethyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[benzyl(isopropyl)amino]-2-keto-ethyl] ester O1-ethyl ester Formula: C22H24N2O7 MolecularWeight: 428.43516

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC(=O)N(CC2=CC=CC=C2)C(C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC(=O)N(CC2=CC=CC=C2)C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C22H24N2O7/c1-4-30-21(26)17-10-18(12-19(11-17)24(28)29)22(27)31-14-20(25)23(15(2)3)13-16-8-6-5-7-9-16/h5-12,15H,4,13-14H2,1-3H3