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

Systemtic Name: 4-[(E)-3-(3-chloranyl-5-ethoxy-4-oxidanyl-phenyl)prop-2-enoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid Openeye Name: 4-[(E)-3-(3-chloro-5-ethoxy-4-hydroxy-phenyl)prop-2-enoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid CAS Name: 4-[(E)-3-(3-chloro-5-ethoxy-4-hydroxyphenyl)-1-oxoprop-2-enyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-[(E)-3-(3-chloro-5-ethoxy-4-hydroxyphenyl)prop-2-enoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid Traditional Name: 4-[(E)-3-(3-chloro-5-ethoxy-4-hydroxy-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:

CCOC1=C(C(=CC(=C1)C=CC(=O)C2=C(NC(=C2C)C(=O)O)C)Cl)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C/C(=O)C2=C(NC(=C2C)C(=O)O)C)Cl)O

InChI

InChI=1S/C18H18ClNO5/c1-4-25-14-8-11(7-12(19)17(14)22)5-6-13(21)15-9(2)16(18(23)24)20-10(15)3/h5-8,20,22H,4H2,1-3H3,(H,23,24)/b6-5+