[(2S)-1-oxidanylidene-1-[[(2S)-2-phenylbutyl]amino]propan-2-yl] 4-(cyclopropylamino)-3-nitro-benzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-[[(2S)-2-phenylbutyl]amino]propan-2-yl] 4-(cyclopropylamino)-3-nitro-benzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-[[(2S)-2-phenylbutyl]amino]ethyl] 4-(cyclopropylamino)-3-nitro-benzoate CAS Name: 4-(cyclopropylamino)-3-nitrobenzoic acid [(2S)-1-oxo-1-[[(2S)-2-phenylbutyl]amino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-[[(2S)-2-phenylbutyl]amino]propan-2-yl] 4-(cyclopropylamino)-3-nitrobenzoate Traditional Name: 4-(cyclopropylamino)-3-nitro-benzoic acid [(1S)-2-keto-1-methyl-2-[[(2S)-2-phenylbutyl]amino]ethyl] ester Formula: C23H27N3O5 MolecularWeight: 425.47758

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C(C)OC(=O)C1=CC(=C(C=C1)NC2CC2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC[C@H](CNC(=O)[C@H](C)OC(=O)C1=CC(=C(C=C1)NC2CC2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C23H27N3O5/c1-3-16(17-7-5-4-6-8-17)14-24-22(27)15(2)31-23(28)18-9-12-20(25-19-10-11-19)21(13-18)26(29)30/h4-9,12-13,15-16,19,25H,3,10-11,14H2,1-2H3,(H,24,27)/t15-,16+/m0/s1