3-methyl-4-oxidanylidene-imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide; 2-oxidanylbenzoic acid

Systemtic Name: 3-methyl-4-oxidanylidene-imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide; 2-oxidanylbenzoic acid Openeye Name: 2-hydroxybenzoic acid; 3-methyl-4-oxo-imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide CAS Name: 2-hydroxybenzoic acid; 3-methyl-4-oxo-8-imidazo[5,1-d][1,2,3,5]tetrazinecarboxamide IUPAC Name: 2-hydroxybenzoic acid; 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide Traditional Name: 4-keto-3-methyl-imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide; salicylic acid Formula: C13H12N6O5 MolecularWeight: 332.27158

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)N2C=NC(=C2N=N1)C(=O)N.C1=CC=C(C(=C1)C(=O)O)O

Isomeric SMILES

CN1C(=O)N2C=NC(=C2N=N1)C(=O)N.C1=CC=C(C(=C1)C(=O)O)O

InChI

InChI=1S/C7H6O3.C6H6N6O2/c8-6-4-2-1-3-5(6)7(9)10;1-11-6(14)12-2-8-3(4(7)13)5(12)9-10-11/h1-4,8H,(H,9,10);2H,1H3,(H2,7,13)