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

Systemtic Name: methyl 3-[2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-(5-nitro-1,3-dioxo-isoindolin-2-yl)acetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[2-(5-nitro-1,3-dioxo-2-isoindolyl)-1-oxoethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-(5-nitro-1,3-dioxoisoindol-2-yl)acetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-(1,3-diketo-5-nitro-isoindolin-2-yl)acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C16H11N3O7S MolecularWeight: 389.33944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H11N3O7S/c1-26-16(23)13-11(4-5-27-13)17-12(20)7-18-14(21)9-3-2-8(19(24)25)6-10(9)15(18)22/h2-6H,7H2,1H3,(H,17,20)