O1-methyl O3-[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxidanylidene-ethyl] 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O1-methyl O3-[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxidanylidene-ethyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-methyl O3-[2-oxo-2-[[(1R)-1-(p-tolyl)propyl]amino]ethyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-methyl ester O3-[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] ester IUPAC Name: 1-O-methyl 3-O-[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-keto-2-[[(1R)-1-(p-tolyl)propyl]amino]ethyl] ester O1-methyl ester Formula: C21H22N2O7 MolecularWeight: 414.40858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@H](C1=CC=C(C=C1)C)NC(=O)COC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O7/c1-4-18(14-7-5-13(2)6-8-14)22-19(24)12-30-21(26)16-9-15(20(25)29-3)10-17(11-16)23(27)28/h5-11,18H,4,12H2,1-3H3,(H,22,24)/t18-/m1/s1