3-[7-nitro-1-(4-nitrophenyl)-5-oxidanylidene-2,3-dihydro-1,4-benzodiazepin-4-yl]propanoic acid

Systemtic Name: 3-[7-nitro-1-(4-nitrophenyl)-5-oxidanylidene-2,3-dihydro-1,4-benzodiazepin-4-yl]propanoic acid Openeye Name: 3-[7-nitro-1-(4-nitrophenyl)-5-oxo-2,3-dihydro-1,4-benzodiazepin-4-yl]propanoic acid CAS Name: 3-[7-nitro-1-(4-nitrophenyl)-5-oxo-2,3-dihydro-1,4-benzodiazepin-4-yl]propanoic acid IUPAC Name: 3-[7-nitro-1-(4-nitrophenyl)-5-oxo-2,3-dihydro-1,4-benzodiazepin-4-yl]propanoic acid Traditional Name: 3-[5-keto-7-nitro-1-(4-nitrophenyl)-2,3-dihydro-1,4-benzodiazepin-4-yl]propionic acid Formula: C18H16N4O7 MolecularWeight: 400.34224

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N1CCC(=O)O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N1CCC(=O)O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O7/c23-17(24)7-8-19-9-10-20(12-1-3-13(4-2-12)21(26)27)16-6-5-14(22(28)29)11-15(16)18(19)25/h1-6,11H,7-10H2,(H,23,24)