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

Systemtic Name: dimethyl 5-azanyl-3-[(4-chloranyl-2-nitro-phenoxy)methyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[(4-chloro-2-nitro-phenoxy)methyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[(4-chloro-2-nitrophenoxy)methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[(4-chloro-2-nitrophenoxy)methyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[(4-chloro-2-nitro-phenoxy)methyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C15H13ClN2O7S MolecularWeight: 400.79092

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1COC2=C(C=C(C=C2)Cl)[N+](=O)[O-])C(=O)OC)N

Isomeric SMILES

COC(=O)C1=C(SC(=C1COC2=C(C=C(C=C2)Cl)[N+](=O)[O-])C(=O)OC)N

InChI

InChI=1S/C15H13ClN2O7S/c1-23-14(19)11-8(12(15(20)24-2)26-13(11)17)6-25-10-4-3-7(16)5-9(10)18(21)22/h3-5H,6,17H2,1-2H3