4-nitrooxybutyl 3-methyl-4-oxidanylidene-imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylate

Systemtic Name: 4-nitrooxybutyl 3-methyl-4-oxidanylidene-imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylate Openeye Name: 4-nitrooxybutyl 3-methyl-4-oxo-imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylate CAS Name: 3-methyl-4-oxo-8-imidazo[5,1-d][1,2,3,5]tetrazinecarboxylic acid 4-nitrooxybutyl ester IUPAC Name: 4-nitrooxybutyl 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylate Traditional Name: 4-keto-3-methyl-imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylic acid 4-nitrooxybutyl ester Formula: C10H12N6O6 MolecularWeight: 312.23888

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)N2C=NC(=C2N=N1)C(=O)OCCCCO[N+](=O)[O-]

Isomeric SMILES

CN1C(=O)N2C=NC(=C2N=N1)C(=O)OCCCCO[N+](=O)[O-]

InChI

InChI=1S/C10H12N6O6/c1-14-10(18)15-6-11-7(8(15)12-13-14)9(17)21-4-2-3-5-22-16(19)20/h6H,2-5H2,1H3