[5-(2,3-dihydro-1H-1,2,3,4-tetrazol-5-ylcarbonylimino)-3-methyl-6-oxidanylidene-cyclohexa-1,3-dien-1-yl] ethanoate

Systemtic Name: [5-(2,3-dihydro-1H-1,2,3,4-tetrazol-5-ylcarbonylimino)-3-methyl-6-oxidanylidene-cyclohexa-1,3-dien-1-yl] ethanoate Openeye Name: [5-(2,3-dihydro-1H-tetrazole-5-carbonylimino)-3-methyl-6-oxo-cyclohexa-1,3-dien-1-yl] acetate CAS Name: acetic acid [5-[2,3-dihydro-1H-tetrazol-5-yl(oxo)methyl]imino-3-methyl-6-oxo-1-cyclohexa-1,3-dienyl] ester IUPAC Name: [5-(2,3-dihydro-1H-tetrazole-5-carbonylimino)-3-methyl-6-oxocyclohexa-1,3-dien-1-yl] acetate Traditional Name: acetic acid [5-(2,3-dihydro-1H-tetrazole-5-carbonylimino)-6-keto-3-methyl-cyclohexa-1,3-dien-1-yl] ester Formula: C11H11N5O4 MolecularWeight: 277.23614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=O)C2=NNNN2)C(=O)C(=C1)OC(=O)C

Isomeric SMILES

CC1=CC(=NC(=O)C2=NNNN2)C(=O)C(=C1)OC(=O)C

InChI

InChI=1S/C11H11N5O4/c1-5-3-7(9(18)8(4-5)20-6(2)17)12-11(19)10-13-15-16-14-10/h3-4,15-16H,1-2H3,(H,13,14)