(2S)-2-(3-nitrophenyl)-2-[(phenylmethyl)amino]ethanenitrile

Systemtic Name: (2S)-2-(3-nitrophenyl)-2-[(phenylmethyl)amino]ethanenitrile Openeye Name: (2S)-2-(benzylamino)-2-(3-nitrophenyl)acetonitrile CAS Name: (2S)-2-(3-nitrophenyl)-2-[(phenylmethyl)amino]acetonitrile IUPAC Name: (2S)-2-(benzylamino)-2-(3-nitrophenyl)acetonitrile Traditional Name: (2S)-2-(benzylamino)-2-(3-nitrophenyl)acetonitrile Formula: C15H13N3O2 MolecularWeight: 267.28262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N3O2/c16-10-15(17-11-12-5-2-1-3-6-12)13-7-4-8-14(9-13)18(19)20/h1-9,15,17H,11H2/t15-/m1/s1