3-(1,4-diazepin-1-ylmethyl)furan-2-carboxylic acid

Systemtic Name: 3-(1,4-diazepin-1-ylmethyl)furan-2-carboxylic acid Openeye Name: 3-(1,4-diazepin-1-ylmethyl)furan-2-carboxylic acid CAS Name: 3-(1,4-diazepin-1-ylmethyl)-2-furancarboxylic acid IUPAC Name: 3-(1,4-diazepin-1-ylmethyl)furan-2-carboxylic acid Traditional Name: 3-(1,4-diazepin-1-ylmethyl)-2-furoic acid Formula: C11H10N2O3 MolecularWeight: 218.2087

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=CN=C1)CC2=C(OC=C2)C(=O)O

Isomeric SMILES

C1=CN(C=CN=C1)CC2=C(OC=C2)C(=O)O

InChI

InChI=1S/C11H10N2O3/c14-11(15)10-9(2-7-16-10)8-13-5-1-3-12-4-6-13/h1-7H,8H2,(H,14,15)