(2-nitrophenyl)methyl 3-pyrrol-1-ylthiophene-2-carboxylate

Systemtic Name: (2-nitrophenyl)methyl 3-pyrrol-1-ylthiophene-2-carboxylate Openeye Name: (2-nitrophenyl)methyl 3-pyrrol-1-ylthiophene-2-carboxylate CAS Name: 3-(1-pyrrolyl)-2-thiophenecarboxylic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl 3-pyrrol-1-ylthiophene-2-carboxylate Traditional Name: 3-pyrrol-1-ylthiophene-2-carboxylic acid (2-nitrobenzyl) ester Formula: C16H12N2O4S MolecularWeight: 328.34248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12N2O4S/c19-16(15-14(7-10-23-15)17-8-3-4-9-17)22-11-12-5-1-2-6-13(12)18(20)21/h1-10H,11H2