2-[5-[(E)-3-(4-carboxyphenyl)-3-oxidanylidene-prop-1-enyl]-2,4-dimethoxy-phenyl]pyrrole-1-carboxylic acid

Systemtic Name: 2-[5-[(E)-3-(4-carboxyphenyl)-3-oxidanylidene-prop-1-enyl]-2,4-dimethoxy-phenyl]pyrrole-1-carboxylic acid Openeye Name: 2-[5-[(E)-3-(4-carboxyphenyl)-3-oxo-prop-1-enyl]-2,4-dimethoxy-phenyl]pyrrole-1-carboxylic acid CAS Name: 2-[5-[(E)-3-(4-carboxyphenyl)-3-oxoprop-1-enyl]-2,4-dimethoxyphenyl]-1-pyrrolecarboxylic acid IUPAC Name: 2-[5-[(E)-3-(4-carboxyphenyl)-3-oxoprop-1-enyl]-2,4-dimethoxyphenyl]pyrrole-1-carboxylic acid Traditional Name: 2-[5-[(E)-3-(4-carboxyphenyl)-3-keto-prop-1-enyl]-2,4-dimethoxy-phenyl]pyrrole-1-carboxylic acid Formula: C23H19NO7 MolecularWeight: 421.39946

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C2=CC=CN2C(=O)O)C=CC(=O)C3=CC=C(C=C3)C(=O)O)OC

Isomeric SMILES

COC1=CC(=C(C=C1C2=CC=CN2C(=O)O)/C=C/C(=O)C3=CC=C(C=C3)C(=O)O)OC

InChI

InChI=1S/C23H19NO7/c1-30-20-13-21(31-2)17(18-4-3-11-24(18)23(28)29)12-16(20)9-10-19(25)14-5-7-15(8-6-14)22(26)27/h3-13H,1-2H3,(H,26,27)(H,28,29)/b10-9+