methyl 3-azanyl-5-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]thiophene-2-carboxylate

Systemtic Name: methyl 3-azanyl-5-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]thiophene-2-carboxylate Openeye Name: methyl 3-amino-5-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]thiophene-2-carboxylate CAS Name: 3-amino-5-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-amino-5-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]thiophene-2-carboxylate Traditional Name: 3-amino-5-[3-methoxy-4-(4-nitrobenzyl)oxy-phenyl]thiophene-2-carboxylic acid methyl ester Formula: C20H18N2O6S MolecularWeight: 414.43172

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=CC(=C(S2)C(=O)OC)N)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)C2=CC(=C(S2)C(=O)OC)N)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H18N2O6S/c1-26-17-9-13(18-10-15(21)19(29-18)20(23)27-2)5-8-16(17)28-11-12-3-6-14(7-4-12)22(24)25/h3-10H,11,21H2,1-2H3