(E)-2-(1,4-benzodiazepin-1-yl)but-2-enedioic acid

Systemtic Name: (E)-2-(1,4-benzodiazepin-1-yl)but-2-enedioic acid Openeye Name: (E)-2-(1,4-benzodiazepin-1-yl)but-2-enedioic acid CAS Name: (E)-2-(1,4-benzodiazepin-1-yl)-2-butenedioic acid IUPAC Name: (E)-2-(1,4-benzodiazepin-1-yl)but-2-enedioic acid Traditional Name: (E)-2-(1,4-benzodiazepin-1-yl)but-2-enedioic acid Formula: C13H10N2O4 MolecularWeight: 258.2295

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=NC=CN2C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=NC=CN2/C(=C/C(=O)O)/C(=O)O

InChI

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