N-[(4-chloranyl-3-nitro-phenyl)methyl]-5-nitro-2-(1-oxidanylbutan-2-ylamino)benzamide

Systemtic Name: N-[(4-chloranyl-3-nitro-phenyl)methyl]-5-nitro-2-(1-oxidanylbutan-2-ylamino)benzamide Openeye Name: N-[(4-chloro-3-nitro-phenyl)methyl]-2-[1-(hydroxymethyl)propylamino]-5-nitro-benzamide CAS Name: N-[(4-chloro-3-nitrophenyl)methyl]-2-(1-hydroxybutan-2-ylamino)-5-nitrobenzamide IUPAC Name: N-[(4-chloro-3-nitrophenyl)methyl]-2-(1-hydroxybutan-2-ylamino)-5-nitrobenzamide Traditional Name: N-(4-chloro-3-nitro-benzyl)-2-(1-methylolpropylamino)-5-nitro-benzamide Formula: C18H19ClN4O6 MolecularWeight: 422.81966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NCC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCC(CO)NC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NCC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H19ClN4O6/c1-2-12(10-24)21-16-6-4-13(22(26)27)8-14(16)18(25)20-9-11-3-5-15(19)17(7-11)23(28)29/h3-8,12,21,24H,2,9-10H2,1H3,(H,20,25)