ethyl 4,5-dimethyl-2-[[(E)-(3-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]amino]thiophene-3-carboxylate

Systemtic Name: ethyl 4,5-dimethyl-2-[[(E)-(3-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]amino]thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-[[(E)-(3-nitro-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]amino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[(E)-(3-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-[[(E)-(3-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[(E)-(4-keto-3-nitro-cyclohexa-2,5-dien-1-ylidene)methyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C16H16N2O5S MolecularWeight: 348.37364

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC=C2C=CC(=O)C(=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)N/C=C/2\C=CC(=O)C(=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O5S/c1-4-23-16(20)14-9(2)10(3)24-15(14)17-8-11-5-6-13(19)12(7-11)18(21)22/h5-8,17H,4H2,1-3H3/b11-8+