[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 2-azanyl-5-nitro-benzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 2-azanyl-5-nitro-benzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(propylamino)ethyl] 2-amino-5-nitro-benzoate CAS Name: 2-amino-5-nitrobenzoic acid [(2S)-1-oxo-1-(propylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propylamino)propan-2-yl] 2-amino-5-nitrobenzoate Traditional Name: 2-amino-5-nitro-benzoic acid [(1S)-2-keto-1-methyl-2-(propylamino)ethyl] ester Formula: C13H17N3O5 MolecularWeight: 295.29118

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)OC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N

Isomeric SMILES

CCCNC(=O)[C@H](C)OC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N

InChI

InChI=1S/C13H17N3O5/c1-3-6-15-12(17)8(2)21-13(18)10-7-9(16(19)20)4-5-11(10)14/h4-5,7-8H,3,6,14H2,1-2H3,(H,15,17)/t8-/m0/s1