2-(4-methyl-5-oxidanylidene-1,3-dihydro-1,4-benzodiazepin-2-ylidene)propanedioic acid

Systemtic Name: 2-(4-methyl-5-oxidanylidene-1,3-dihydro-1,4-benzodiazepin-2-ylidene)propanedioic acid Openeye Name: 2-(4-methyl-5-oxo-1,3-dihydro-1,4-benzodiazepin-2-ylidene)propanedioic acid CAS Name: 2-(4-methyl-5-oxo-1,3-dihydro-1,4-benzodiazepin-2-ylidene)propanedioic acid IUPAC Name: 2-(4-methyl-5-oxo-1,3-dihydro-1,4-benzodiazepin-2-ylidene)propanedioic acid Traditional Name: 2-(5-keto-4-methyl-1,3-dihydro-1,4-benzodiazepin-2-ylidene)malonic acid Formula: C13H12N2O5 MolecularWeight: 276.24478

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(=C(C(=O)O)C(=O)O)NC2=CC=CC=C2C1=O

Isomeric SMILES

CN1CC(=C(C(=O)O)C(=O)O)NC2=CC=CC=C2C1=O

InChI

InChI=1S/C13H12N2O5/c1-15-6-9(10(12(17)18)13(19)20)14-8-5-3-2-4-7(8)11(15)16/h2-5,14H,6H2,1H3,(H,17,18)(H,19,20)