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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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