[2-methoxy-4-[(E)-2-nitroethenyl]phenyl] 3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-methoxy-4-[(E)-2-nitroethenyl]phenyl] 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-methoxy-4-[(E)-2-nitrovinyl]phenyl] 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-1-benzothiophene-2-carboxylic acid [2-methoxy-4-[(E)-2-nitroethenyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-2-nitroethenyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid [2-methoxy-4-[(E)-2-nitrovinyl]phenyl] ester Formula: C18H12ClNO5S MolecularWeight: 389.80958

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C[N+](=O)[O-])OC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/[N+](=O)[O-])OC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C18H12ClNO5S/c1-24-14-10-11(8-9-20(22)23)6-7-13(14)25-18(21)17-16(19)12-4-2-3-5-15(12)26-17/h2-10H,1H3/b9-8+