N-[(2S)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl]-3-nitro-benzamide

Systemtic Name: N-[(2S)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl]-3-nitro-benzamide Openeye Name: N-[(1S)-2-(cyclopropylamino)-1-methyl-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-3-nitrobenzamide IUPAC Name: N-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-3-nitrobenzamide Traditional Name: N-[(1S)-2-(cyclopropylamino)-2-keto-1-methyl-ethyl]-3-nitro-benzamide Formula: C13H15N3O4 MolecularWeight: 277.2759

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NC1CC1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H15N3O4/c1-8(12(17)15-10-5-6-10)14-13(18)9-3-2-4-11(7-9)16(19)20/h2-4,7-8,10H,5-6H2,1H3,(H,14,18)(H,15,17)/t8-/m0/s1