6-[1-methyl-7-nitro-2,5-bis(oxidanylidene)-3H-1,4-benzodiazepin-4-yl]-3-(4-nitrophenyl)hexanoic acid

Systemtic Name: 6-[1-methyl-7-nitro-2,5-bis(oxidanylidene)-3H-1,4-benzodiazepin-4-yl]-3-(4-nitrophenyl)hexanoic acid Openeye Name: 6-(1-methyl-7-nitro-2,5-dioxo-3H-1,4-benzodiazepin-4-yl)-3-(4-nitrophenyl)hexanoic acid CAS Name: 6-(1-methyl-7-nitro-2,5-dioxo-3H-1,4-benzodiazepin-4-yl)-3-(4-nitrophenyl)hexanoic acid IUPAC Name: 6-(1-methyl-7-nitro-2,5-dioxo-3H-1,4-benzodiazepin-4-yl)-3-(4-nitrophenyl)hexanoic acid Traditional Name: 6-(2,5-diketo-1-methyl-7-nitro-3H-1,4-benzodiazepin-4-yl)-3-(4-nitrophenyl)hexanoic acid Formula: C22H22N4O8 MolecularWeight: 470.43208

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CN(C(=O)C2=C1C=CC(=C2)[N+](=O)[O-])CCCC(CC(=O)O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C(=O)CN(C(=O)C2=C1C=CC(=C2)[N+](=O)[O-])CCCC(CC(=O)O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O8/c1-23-19-9-8-17(26(33)34)12-18(19)22(30)24(13-20(23)27)10-2-3-15(11-21(28)29)14-4-6-16(7-5-14)25(31)32/h4-9,12,15H,2-3,10-11,13H2,1H3,(H,28,29)