N-[(S)-cyano-(4-fluorophenyl)methyl]-3-methyl-4-nitro-benzamide

Systemtic Name: N-[(S)-cyano-(4-fluorophenyl)methyl]-3-methyl-4-nitro-benzamide Openeye Name: N-[(S)-cyano-(4-fluorophenyl)methyl]-3-methyl-4-nitro-benzamide CAS Name: N-[(S)-cyano-(4-fluorophenyl)methyl]-3-methyl-4-nitrobenzamide IUPAC Name: N-[(S)-cyano-(4-fluorophenyl)methyl]-3-methyl-4-nitrobenzamide Traditional Name: N-[(S)-cyano-(4-fluorophenyl)methyl]-3-methyl-4-nitro-benzamide Formula: C16H12FN3O3 MolecularWeight: 313.283183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC(C#N)C2=CC=C(C=C2)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N[C@H](C#N)C2=CC=C(C=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C16H12FN3O3/c1-10-8-12(4-7-15(10)20(22)23)16(21)19-14(9-18)11-2-5-13(17)6-3-11/h2-8,14H,1H3,(H,19,21)/t14-/m1/s1