methyl 4,5-dimethyl-2-[2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4,5-dimethyl-2-[2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 4,5-dimethyl-2-[[2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[2-(4-nitro-1,3-dioxo-2-isoindolyl)-1-oxoethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4,5-dimethyl-2-[[2-(4-nitro-1,3-dioxoisoindol-2-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[2-(1,3-diketo-4-nitro-isoindolin-2-yl)acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C18H15N3O7S MolecularWeight: 417.3926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C18H15N3O7S/c1-8-9(2)29-15(13(8)18(25)28-3)19-12(22)7-20-16(23)10-5-4-6-11(21(26)27)14(10)17(20)24/h4-6H,7H2,1-3H3,(H,19,22)