2-[5-(2-chlorophenyl)-7-nitro-1,3-dihydro-1,4-benzodiazepin-2-ylidene]propanedioic acid

Systemtic Name: 2-[5-(2-chlorophenyl)-7-nitro-1,3-dihydro-1,4-benzodiazepin-2-ylidene]propanedioic acid Openeye Name: 2-[5-(2-chlorophenyl)-7-nitro-1,3-dihydro-1,4-benzodiazepin-2-ylidene]propanedioic acid CAS Name: 2-[5-(2-chlorophenyl)-7-nitro-1,3-dihydro-1,4-benzodiazepin-2-ylidene]propanedioic acid IUPAC Name: 2-[5-(2-chlorophenyl)-7-nitro-1,3-dihydro-1,4-benzodiazepin-2-ylidene]propanedioic acid Traditional Name: 2-[5-(2-chlorophenyl)-7-nitro-1,3-dihydro-1,4-benzodiazepin-2-ylidene]malonic acid Formula: C18H12ClN3O6 MolecularWeight: 401.75738

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(C(=O)O)C(=O)O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3Cl

Isomeric SMILES

C1C(=C(C(=O)O)C(=O)O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3Cl

InChI

InChI=1S/C18H12ClN3O6/c19-12-4-2-1-3-10(12)16-11-7-9(22(27)28)5-6-13(11)21-14(8-20-16)15(17(23)24)18(25)26/h1-7,21H,8H2,(H,23,24)(H,25,26)