[2-oxidanylidene-2-[[(1R)-1-phenylbutyl]amino]ethyl] 2-methyl-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[[(1R)-1-phenylbutyl]amino]ethyl] 2-methyl-3-nitro-benzoate Openeye Name: [2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-nitrobenzoic acid [2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 2-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-nitro-benzoic acid [2-keto-2-[[(1R)-1-phenylbutyl]amino]ethyl] ester Formula: C20H22N2O5 MolecularWeight: 370.39908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O5/c1-3-8-17(15-9-5-4-6-10-15)21-19(23)13-27-20(24)16-11-7-12-18(14(16)2)22(25)26/h4-7,9-12,17H,3,8,13H2,1-2H3,(H,21,23)/t17-/m1/s1