ethyl 4-(2-methylpropyl)-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(2-methylpropyl)-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]thiophene-3-carboxylate Openeye Name: ethyl 4-isobutyl-2-(4-nitro-1,3-dioxo-isoindolin-2-yl)thiophene-3-carboxylate CAS Name: 4-(2-methylpropyl)-2-(4-nitro-1,3-dioxo-2-isoindolyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-methylpropyl)-2-(4-nitro-1,3-dioxoisoindol-2-yl)thiophene-3-carboxylate Traditional Name: 2-(1,3-diketo-4-nitro-isoindolin-2-yl)-4-isobutyl-thiophene-3-carboxylic acid ethyl ester Formula: C19H18N2O6S MolecularWeight: 402.42102

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1CC(C)C)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC=C1CC(C)C)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H18N2O6S/c1-4-27-19(24)14-11(8-10(2)3)9-28-18(14)20-16(22)12-6-5-7-13(21(25)26)15(12)17(20)23/h5-7,9-10H,4,8H2,1-3H3