[2-oxidanylidene-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 4-(cyclopropylamino)-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 4-(cyclopropylamino)-3-nitro-benzoate Openeye Name: [2-[[(1R)-1-methyl-3-phenyl-propyl]amino]-2-oxo-ethyl] 4-(cyclopropylamino)-3-nitro-benzoate CAS Name: 4-(cyclopropylamino)-3-nitrobenzoic acid [2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 4-(cyclopropylamino)-3-nitrobenzoate Traditional Name: 4-(cyclopropylamino)-3-nitro-benzoic acid [2-keto-2-[[(1R)-1-methyl-3-phenyl-propyl]amino]ethyl] ester Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)COC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]

Isomeric SMILES

C[C@H](CCC1=CC=CC=C1)NC(=O)COC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O5/c1-15(7-8-16-5-3-2-4-6-16)23-21(26)14-30-22(27)17-9-12-19(24-18-10-11-18)20(13-17)25(28)29/h2-6,9,12-13,15,18,24H,7-8,10-11,14H2,1H3,(H,23,26)/t15-/m1/s1