4-[(E)-3-(3-chloranyl-4,5-dimethoxy-phenyl)prop-2-enoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid

Systemtic Name: 4-[(E)-3-(3-chloranyl-4,5-dimethoxy-phenyl)prop-2-enoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid Openeye Name: 4-[(E)-3-(3-chloro-4,5-dimethoxy-phenyl)prop-2-enoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid CAS Name: 4-[(E)-3-(3-chloro-4,5-dimethoxyphenyl)-1-oxoprop-2-enyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-[(E)-3-(3-chloro-4,5-dimethoxyphenyl)prop-2-enoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid Traditional Name: 4-[(E)-3-(3-chloro-4,5-dimethoxy-phenyl)acryloyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid Formula: C18H18ClNO5 MolecularWeight: 363.79222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C=CC2=CC(=C(C(=C2)Cl)OC)OC)C)C(=O)O

Isomeric SMILES

CC1=C(NC(=C1C(=O)/C=C/C2=CC(=C(C(=C2)Cl)OC)OC)C)C(=O)O

InChI

InChI=1S/C18H18ClNO5/c1-9-15(10(2)20-16(9)18(22)23)13(21)6-5-11-7-12(19)17(25-4)14(8-11)24-3/h5-8,20H,1-4H3,(H,22,23)/b6-5+