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

Systemtic Name: [5-(2,3-dihydro-1H-1,2,3,4-tetrazol-5-ylcarbonylimino)-3-methyl-6-oxidanylidene-cyclohexa-1,3-dien-1-yl] propanoate Openeye Name: [5-(2,3-dihydro-1H-tetrazole-5-carbonylimino)-3-methyl-6-oxo-cyclohexa-1,3-dien-1-yl] propanoate CAS Name: propanoic 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] propanoate Traditional Name: propionic acid [5-(2,3-dihydro-1H-tetrazole-5-carbonylimino)-6-keto-3-methyl-cyclohexa-1,3-dien-1-yl] ester Formula: C12H13N5O4 MolecularWeight: 291.26272

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=CC(=CC(=NC(=O)C2=NNNN2)C1=O)C

Isomeric SMILES

CCC(=O)OC1=CC(=CC(=NC(=O)C2=NNNN2)C1=O)C

InChI

InChI=1S/C12H13N5O4/c1-3-9(18)21-8-5-6(2)4-7(10(8)19)13-12(20)11-14-16-17-15-11/h4-5,16-17H,3H2,1-2H3,(H,14,15)