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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14ClN3O4/c1-3-6-15-12(18)8(2)16-13(19)9-4-5-10(14)11(7-9)17(20)21/h3-5,7-8H,1,6H2,2H3,(H,15,18)(H,16,19)/t8-/m0/s1