ethyl 2-[5-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-1,2-dihydro-1,2,4-triazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[5-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-1,2-dihydro-1,2,4-triazol-3-yl]ethanoate Openeye Name: ethyl 2-[5-(4-oxocyclohexa-2,5-dien-1-ylidene)-1,2-dihydro-1,2,4-triazol-3-yl]acetate CAS Name: 2-[5-(4-oxo-1-cyclohexa-2,5-dienylidene)-1,2-dihydro-1,2,4-triazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-(4-oxocyclohexa-2,5-dien-1-ylidene)-1,2-dihydro-1,2,4-triazol-3-yl]acetate Traditional Name: 2-[5-(4-ketocyclohexa-2,5-dien-1-ylidene)-1,2-dihydro-1,2,4-triazol-3-yl]acetic acid ethyl ester Formula: C12H13N3O3 MolecularWeight: 247.24992

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NC(=C2C=CC(=O)C=C2)NN1

Isomeric SMILES

CCOC(=O)CC1=NC(=C2C=CC(=O)C=C2)NN1

InChI

InChI=1S/C12H13N3O3/c1-2-18-11(17)7-10-13-12(15-14-10)8-3-5-9(16)6-4-8/h3-6,15H,2,7H2,1H3,(H,13,14)