N-[1,3-benzodioxol-5-yl-[(4-nitrophenyl)carbonylamino]methyl]-4-nitro-benzamide

Systemtic Name: N-[1,3-benzodioxol-5-yl-[(4-nitrophenyl)carbonylamino]methyl]-4-nitro-benzamide Openeye Name: N-[1,3-benzodioxol-5-yl-[(4-nitrobenzoyl)amino]methyl]-4-nitro-benzamide CAS Name: N-[1,3-benzodioxol-5-yl-[[(4-nitrophenyl)-oxomethyl]amino]methyl]-4-nitrobenzamide IUPAC Name: N-[1,3-benzodioxol-5-yl-[(4-nitrobenzoyl)amino]methyl]-4-nitrobenzamide Traditional Name: N-[1,3-benzodioxol-5-yl-[(4-nitrobenzoyl)amino]methyl]-4-nitro-benzamide Formula: C22H16N4O8 MolecularWeight: 464.38444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H16N4O8/c27-21(13-1-6-16(7-2-13)25(29)30)23-20(15-5-10-18-19(11-15)34-12-33-18)24-22(28)14-3-8-17(9-4-14)26(31)32/h1-11,20H,12H2,(H,23,27)(H,24,28)