ethyl (2Z)-4-methyl-2-(3-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-3H-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl (2Z)-4-methyl-2-(3-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-3H-1,3-thiazole-5-carboxylate Openeye Name: ethyl (2Z)-4-methyl-2-(3-nitro-4-oxo-cyclohexa-2,5-dien-1-ylidene)-3H-thiazole-5-carboxylate CAS Name: (2Z)-4-methyl-2-(3-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)-3H-thiazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl (2Z)-4-methyl-2-(3-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)-3H-1,3-thiazole-5-carboxylate Traditional Name: (2Z)-2-(4-keto-3-nitro-cyclohexa-2,5-dien-1-ylidene)-4-methyl-4-thiazoline-5-carboxylic acid ethyl ester Formula: C13H12N2O5S MolecularWeight: 308.30978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C2C=CC(=O)C(=C2)[N+](=O)[O-])S1)C

Isomeric SMILES

CCOC(=O)C1=C(N/C(=C/2\C=CC(=O)C(=C2)[N+](=O)[O-])/S1)C

InChI

InChI=1S/C13H12N2O5S/c1-3-20-13(17)11-7(2)14-12(21-11)8-4-5-10(16)9(6-8)15(18)19/h4-6,14H,3H2,1-2H3/b12-8-