methyl (2S)-2-[[4-(cyclopropylamino)-3-nitro-phenyl]carbonylamino]-3-oxidanyl-propanoate

Systemtic Name: methyl (2S)-2-[[4-(cyclopropylamino)-3-nitro-phenyl]carbonylamino]-3-oxidanyl-propanoate Openeye Name: methyl (2S)-2-[[4-(cyclopropylamino)-3-nitro-benzoyl]amino]-3-hydroxy-propanoate CAS Name: (2S)-2-[[[4-(cyclopropylamino)-3-nitrophenyl]-oxomethyl]amino]-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[4-(cyclopropylamino)-3-nitrobenzoyl]amino]-3-hydroxypropanoate Traditional Name: (2S)-2-[[4-(cyclopropylamino)-3-nitro-benzoyl]amino]-3-hydroxy-propionic acid methyl ester Formula: C14H17N3O6 MolecularWeight: 323.30128

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CO)NC(=O)C1=CC(=C(C=C1)NC2CC2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)[C@H](CO)NC(=O)C1=CC(=C(C=C1)NC2CC2)[N+](=O)[O-]

InChI

InChI=1S/C14H17N3O6/c1-23-14(20)11(7-18)16-13(19)8-2-5-10(15-9-3-4-9)12(6-8)17(21)22/h2,5-6,9,11,15,18H,3-4,7H2,1H3,(H,16,19)/t11-/m0/s1