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

Systemtic Name: O1-methyl 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-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-methyl 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-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[benzyl(isopropyl)amino]-2-keto-ethyl] ester O1-methyl ester Formula: C21H22N2O7 MolecularWeight: 414.40858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O7/c1-14(2)22(12-15-7-5-4-6-8-15)19(24)13-30-21(26)17-9-16(20(25)29-3)10-18(11-17)23(27)28/h4-11,14H,12-13H2,1-3H3