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

Systemtic Name: 4-chloranyl-N-[3-methyl-1-oxidanylidene-1-(prop-2-enylamino)butan-2-yl]-3-nitro-benzamide Openeye Name: N-[1-(allylcarbamoyl)-2-methyl-propyl]-4-chloro-3-nitro-benzamide CAS Name: 4-chloro-N-[3-methyl-1-oxo-1-(prop-2-enylamino)butan-2-yl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[3-methyl-1-oxo-1-(prop-2-enylamino)butan-2-yl]-3-nitrobenzamide Traditional Name: N-[1-(allylcarbamoyl)-2-methyl-propyl]-4-chloro-3-nitro-benzamide Formula: C15H18ClN3O4 MolecularWeight: 339.77412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18ClN3O4/c1-4-7-17-15(21)13(9(2)3)18-14(20)10-5-6-11(16)12(8-10)19(22)23/h4-6,8-9,13H,1,7H2,2-3H3,(H,17,21)(H,18,20)