(1-azanyl-1-oxidanylidene-propan-2-yl) 4-[(2-nitrophenyl)amino]butanoate

Systemtic Name: (1-azanyl-1-oxidanylidene-propan-2-yl) 4-[(2-nitrophenyl)amino]butanoate Openeye Name: (2-amino-1-methyl-2-oxo-ethyl) 4-(2-nitroanilino)butanoate CAS Name: 4-(2-nitroanilino)butanoic acid (1-amino-1-oxopropan-2-yl) ester IUPAC Name: (1-amino-1-oxopropan-2-yl) 4-(2-nitroanilino)butanoate Traditional Name: 4-(2-nitroanilino)butyric acid (2-amino-2-keto-1-methyl-ethyl) ester Formula: C13H17N3O5 MolecularWeight: 295.29118

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)OC(=O)CCCNC1=CC=CC=C1[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)N)OC(=O)CCCNC1=CC=CC=C1[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O5/c1-9(13(14)18)21-12(17)7-4-8-15-10-5-2-3-6-11(10)16(19)20/h2-3,5-6,9,15H,4,7-8H2,1H3,(H2,14,18)