diethyl 5-azanyl-3-[(2-chloranyl-4-nitro-phenoxy)methyl]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-azanyl-3-[(2-chloranyl-4-nitro-phenoxy)methyl]thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-amino-3-[(2-chloro-4-nitro-phenoxy)methyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[(2-chloro-4-nitrophenoxy)methyl]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-amino-3-[(2-chloro-4-nitrophenoxy)methyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[(2-chloro-4-nitro-phenoxy)methyl]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C17H17ClN2O7S MolecularWeight: 428.84408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1COC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C(=O)OCC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1COC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C(=O)OCC)N

InChI

InChI=1S/C17H17ClN2O7S/c1-3-25-16(21)13-10(14(28-15(13)19)17(22)26-4-2)8-27-12-6-5-9(20(23)24)7-11(12)18/h5-7H,3-4,8,19H2,1-2H3