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

Systemtic Name: 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]-3-nitro-benzamide CAS Name: 3-nitro-N-[(2S)-1-oxo-1-(prop-2-enylamino)propan-2-yl]benzamide IUPAC Name: 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]-3-nitro-benzamide Formula: C13H15N3O4 MolecularWeight: 277.2759

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O4/c1-3-7-14-12(17)9(2)15-13(18)10-5-4-6-11(8-10)16(19)20/h3-6,8-9H,1,7H2,2H3,(H,14,17)(H,15,18)/t9-/m0/s1