[(1R)-1-cyanoethyl] 5-nitro-2-[(phenylmethyl)amino]benzoate

Systemtic Name: [(1R)-1-cyanoethyl] 5-nitro-2-[(phenylmethyl)amino]benzoate Openeye Name: [(1R)-1-cyanoethyl] 2-(benzylamino)-5-nitro-benzoate CAS Name: 5-nitro-2-[(phenylmethyl)amino]benzoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 2-(benzylamino)-5-nitrobenzoate Traditional Name: 2-(benzylamino)-5-nitro-benzoic acid [(1R)-1-cyanoethyl] ester Formula: C17H15N3O4 MolecularWeight: 325.3187

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NCC2=CC=CC=C2

Isomeric SMILES

C[C@H](C#N)OC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NCC2=CC=CC=C2

InChI

InChI=1S/C17H15N3O4/c1-12(10-18)24-17(21)15-9-14(20(22)23)7-8-16(15)19-11-13-5-3-2-4-6-13/h2-9,12,19H,11H2,1H3/t12-/m1/s1