N-[5-[(4-bromanyl-3-nitro-phenyl)carbonylamino]-6-(methylamino)-6-oxidanylidene-hexyl]-4-(bromomethyl)-3-nitro-benzamide

Systemtic Name: N-[5-[(4-bromanyl-3-nitro-phenyl)carbonylamino]-6-(methylamino)-6-oxidanylidene-hexyl]-4-(bromomethyl)-3-nitro-benzamide Openeye Name: 4-(bromomethyl)-N-[5-[(4-bromo-3-nitro-benzoyl)amino]-6-(methylamino)-6-oxo-hexyl]-3-nitro-benzamide CAS Name: 4-(bromomethyl)-N-[5-[[(4-bromo-3-nitrophenyl)-oxomethyl]amino]-6-(methylamino)-6-oxohexyl]-3-nitrobenzamide IUPAC Name: 4-(bromomethyl)-N-[5-[(4-bromo-3-nitrobenzoyl)amino]-6-(methylamino)-6-oxohexyl]-3-nitrobenzamide Traditional Name: 4-(bromomethyl)-N-[5-[(4-bromo-3-nitro-benzoyl)amino]-6-keto-6-(methylamino)hexyl]-3-nitro-benzamide Formula: C22H23Br2N5O7 MolecularWeight: 629.25532

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C(CCCCNC(=O)C1=CC(=C(C=C1)CBr)[N+](=O)[O-])NC(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

CNC(=O)C(CCCCNC(=O)C1=CC(=C(C=C1)CBr)[N+](=O)[O-])NC(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C22H23Br2N5O7/c1-25-22(32)17(27-21(31)14-7-8-16(24)19(11-14)29(35)36)4-2-3-9-26-20(30)13-5-6-15(12-23)18(10-13)28(33)34/h5-8,10-11,17H,2-4,9,12H2,1H3,(H,25,32)(H,26,30)(H,27,31)