N-[3-nitro-4-(3-oxidanylidenebutanoylamino)phenyl]-3-oxidanylidene-butanamide

Systemtic Name: N-[3-nitro-4-(3-oxidanylidenebutanoylamino)phenyl]-3-oxidanylidene-butanamide Openeye Name: N-[3-nitro-4-(3-oxobutanoylamino)phenyl]-3-oxo-butanamide CAS Name: N-[4-(1,3-dioxobutylamino)-3-nitrophenyl]-3-oxobutanamide IUPAC Name: N-[3-nitro-4-(3-oxobutanoylamino)phenyl]-3-oxobutanamide Traditional Name: N-[4-(acetoacetylamino)-3-nitro-phenyl]-3-keto-butyramide Formula: C14H15N3O6 MolecularWeight: 321.2854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)NC1=CC(=C(C=C1)NC(=O)CC(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)CC(=O)NC1=CC(=C(C=C1)NC(=O)CC(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C14H15N3O6/c1-8(18)5-13(20)15-10-3-4-11(12(7-10)17(22)23)16-14(21)6-9(2)19/h3-4,7H,5-6H2,1-2H3,(H,15,20)(H,16,21)