sodium 5-(8-oxidanylidene-4,7-dihydroimidazo[4,5-d][1,3]diazepin-3-yl)pentanoate

Systemtic Name: sodium 5-(8-oxidanylidene-4,7-dihydroimidazo[4,5-d][1,3]diazepin-3-yl)pentanoate Openeye Name: sodium 5-(8-oxo-4,7-dihydroimidazo[4,5-d][1,3]diazepin-3-yl)pentanoate CAS Name: sodium 5-(8-oxo-4,7-dihydroimidazo[4,5-d][1,3]diazepin-3-yl)pentanoate IUPAC Name: sodium 5-(8-oxo-4,7-dihydroimidazo[4,5-d][1,3]diazepin-3-yl)pentanoate Traditional Name: sodium 5-(8-keto-4,7-dihydroimidazo[4,5-d][1,3]diazepin-3-yl)valerate Formula: C11H13N4NaO3 MolecularWeight: 272.23569

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)C2=C(NC=N1)N(C=N2)CCCCC(=O)[O-].[Na+]

Isomeric SMILES

C1C(=O)C2=C(NC=N1)N(C=N2)CCCCC(=O)[O-].[Na+]

InChI

InChI=1S/C11H14N4O3.Na/c16-8-5-12-6-13-11-10(8)14-7-15(11)4-2-1-3-9(17)18;/h6-7H,1-5H2,(H,12,13)(H,17,18);/q;+1/p-1