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

Systemtic Name: diethyl 5-azanyl-3-[(4-nitrophenoxy)methyl]thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-amino-3-[(4-nitrophenoxy)methyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[(4-nitrophenoxy)methyl]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-amino-3-[(4-nitrophenoxy)methyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[(4-nitrophenoxy)methyl]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C17H18N2O7S MolecularWeight: 394.39902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O7S/c1-3-24-16(20)13-12(14(27-15(13)18)17(21)25-4-2)9-26-11-7-5-10(6-8-11)19(22)23/h5-8H,3-4,9,18H2,1-2H3