ethyl 5-azanyl-4-cyano-3-[[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]methyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]methyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[(5-nitro-1,3-dioxo-isoindolin-2-yl)methyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[(5-nitro-1,3-dioxo-2-isoindolyl)methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[(5-nitro-1,3-dioxoisoindol-2-yl)methyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[(1,3-diketo-5-nitro-isoindolin-2-yl)methyl]thiophene-2-carboxylic acid ethyl ester Formula: C17H12N4O6S MolecularWeight: 400.36538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H12N4O6S/c1-2-27-17(24)13-12(11(6-18)14(19)28-13)7-20-15(22)9-4-3-8(21(25)26)5-10(9)16(20)23/h3-5H,2,7,19H2,1H3