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

Systemtic Name: diethyl 5-azanyl-3-[(4-methyl-2-nitro-phenoxy)methyl]thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-amino-3-[(4-methyl-2-nitro-phenoxy)methyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[(4-methyl-2-nitrophenoxy)methyl]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-amino-3-[(4-methyl-2-nitrophenoxy)methyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[(4-methyl-2-nitro-phenoxy)methyl]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C18H20N2O7S MolecularWeight: 408.4256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O7S/c1-4-25-17(21)14-11(15(28-16(14)19)18(22)26-5-2)9-27-13-7-6-10(3)8-12(13)20(23)24/h6-8H,4-5,9,19H2,1-3H3