(E)-3-[1-(5-chloranyl-2-methoxy-phenyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[1-(5-chloranyl-2-methoxy-phenyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoic acid Openeye Name: (E)-3-[1-(5-chloro-2-methoxy-phenyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoic acid CAS Name: (E)-3-[1-(5-chloro-2-methoxyphenyl)-2,5-dimethyl-3-pyrrolyl]-2-propenoic acid IUPAC Name: (E)-3-[1-(5-chloro-2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]prop-2-enoic acid Traditional Name: (E)-3-[1-(5-chloro-2-methoxy-phenyl)-2,5-dimethyl-pyrrol-3-yl]acrylic acid Formula: C16H16ClNO3 MolecularWeight: 305.75614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=C(C=CC(=C2)Cl)OC)C)C=CC(=O)O

Isomeric SMILES

CC1=CC(=C(N1C2=C(C=CC(=C2)Cl)OC)C)/C=C/C(=O)O

InChI

InChI=1S/C16H16ClNO3/c1-10-8-12(4-7-16(19)20)11(2)18(10)14-9-13(17)5-6-15(14)21-3/h4-9H,1-3H3,(H,19,20)/b7-4+