diethyl 5-azanyl-3-[[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]methyl]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-azanyl-3-[[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]methyl]thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-amino-3-[(5-nitro-1,3-dioxo-isoindolin-2-yl)methyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[(5-nitro-1,3-dioxo-2-isoindolyl)methyl]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-amino-3-[(5-nitro-1,3-dioxoisoindol-2-yl)methyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[(1,3-diketo-5-nitro-isoindolin-2-yl)methyl]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C19H17N3O8S MolecularWeight: 447.41858

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C(=O)OCC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C(=O)OCC)N

InChI

InChI=1S/C19H17N3O8S/c1-3-29-18(25)13-12(14(31-15(13)20)19(26)30-4-2)8-21-16(23)10-6-5-9(22(27)28)7-11(10)17(21)24/h5-7H,3-4,8,20H2,1-2H3