[(1R)-1-cyanoethyl] 4-[(2-nitrophenyl)amino]butanoate

Systemtic Name: [(1R)-1-cyanoethyl] 4-[(2-nitrophenyl)amino]butanoate Openeye Name: [(1R)-1-cyanoethyl] 4-(2-nitroanilino)butanoate CAS Name: 4-(2-nitroanilino)butanoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 4-(2-nitroanilino)butanoate Traditional Name: 4-(2-nitroanilino)butyric acid [(1R)-1-cyanoethyl] ester Formula: C13H15N3O4 MolecularWeight: 277.2759

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O4/c1-10(9-14)20-13(17)7-4-8-15-11-5-2-3-6-12(11)16(18)19/h2-3,5-6,10,15H,4,7-8H2,1H3/t10-/m1/s1