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

Systemtic Name: 4-chloranyl-N-[(2S)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[(1S)-2-(cyclopropylamino)-1-methyl-2-oxo-ethyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[(1S)-2-(cyclopropylamino)-2-keto-1-methyl-ethyl]-3-nitro-benzamide Formula: C13H14ClN3O4 MolecularWeight: 311.72096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14ClN3O4/c1-7(12(18)16-9-3-4-9)15-13(19)8-2-5-10(14)11(6-8)17(20)21/h2,5-7,9H,3-4H2,1H3,(H,15,19)(H,16,18)/t7-/m0/s1