4-chloranyl-3-nitro-N-[(2S)-1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl]benzamide

Systemtic Name: 4-chloranyl-3-nitro-N-[(2S)-1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl]benzamide Openeye Name: N-[(1S)-2-(benzylamino)-1-methyl-2-oxo-ethyl]-4-chloro-3-nitro-benzamide CAS Name: 4-chloro-3-nitro-N-[(2S)-1-oxo-1-[(phenylmethyl)amino]propan-2-yl]benzamide IUPAC Name: N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-4-chloro-3-nitrobenzamide Traditional Name: N-[(1S)-2-(benzylamino)-2-keto-1-methyl-ethyl]-4-chloro-3-nitro-benzamide Formula: C17H16ClN3O4 MolecularWeight: 361.77964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=CC=C1)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H16ClN3O4/c1-11(16(22)19-10-12-5-3-2-4-6-12)20-17(23)13-7-8-14(18)15(9-13)21(24)25/h2-9,11H,10H2,1H3,(H,19,22)(H,20,23)/t11-/m0/s1