(E)-2-(1,2-benzodiazepin-2-yl)but-2-enedioic acid

Systemtic Name: (E)-2-(1,2-benzodiazepin-2-yl)but-2-enedioic acid Openeye Name: (E)-2-(1,2-benzodiazepin-2-yl)but-2-enedioic acid CAS Name: (E)-2-(1,2-benzodiazepin-2-yl)-2-butenedioic acid IUPAC Name: (E)-2-(1,2-benzodiazepin-2-yl)but-2-enedioic acid Traditional Name: (E)-2-(1,2-benzodiazepin-2-yl)but-2-enedioic acid Formula: C13H10N2O4 MolecularWeight: 258.2295

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=CC=CN(N=C2C=C1)C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC2=CC=CN(N=C2C=C1)/C(=C/C(=O)O)/C(=O)O

InChI

InChI=1S/C13H10N2O4/c16-12(17)8-11(13(18)19)15-7-3-5-9-4-1-2-6-10(9)14-15/h1-8H,(H,16,17)(H,18,19)/b11-8+