2-(1,4-diazepin-5-ylidene)propanedioic acid

Systemtic Name: 2-(1,4-diazepin-5-ylidene)propanedioic acid Openeye Name: 2-(1,4-diazepin-5-ylidene)propanedioic acid CAS Name: 2-(1,4-diazepin-5-ylidene)propanedioic acid IUPAC Name: 2-(1,4-diazepin-5-ylidene)propanedioic acid Traditional Name: 2-(1,4-diazepin-5-ylidene)malonic acid Formula: C8H6N2O4 MolecularWeight: 194.14424

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=NC1=C(C(=O)O)C(=O)O

Isomeric SMILES

C1=CN=CC=NC1=C(C(=O)O)C(=O)O

InChI

InChI=1S/C8H6N2O4/c11-7(12)6(8(13)14)5-1-2-9-3-4-10-5/h1-4H,(H,11,12)(H,13,14)