(2-methoxy-5-nitro-phenyl)methyl 3-pyrrol-1-ylthiophene-2-carboxylate

Systemtic Name: (2-methoxy-5-nitro-phenyl)methyl 3-pyrrol-1-ylthiophene-2-carboxylate Openeye Name: (2-methoxy-5-nitro-phenyl)methyl 3-pyrrol-1-ylthiophene-2-carboxylate CAS Name: 3-(1-pyrrolyl)-2-thiophenecarboxylic acid (2-methoxy-5-nitrophenyl)methyl ester IUPAC Name: (2-methoxy-5-nitrophenyl)methyl 3-pyrrol-1-ylthiophene-2-carboxylate Traditional Name: 3-pyrrol-1-ylthiophene-2-carboxylic acid (2-methoxy-5-nitro-benzyl) ester Formula: C17H14N2O5S MolecularWeight: 358.36846

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])COC(=O)C2=C(C=CS2)N3C=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])COC(=O)C2=C(C=CS2)N3C=CC=C3

InChI

InChI=1S/C17H14N2O5S/c1-23-15-5-4-13(19(21)22)10-12(15)11-24-17(20)16-14(6-9-25-16)18-7-2-3-8-18/h2-10H,11H2,1H3