1-[(3,4-dichlorophenyl)methyl]-3-(3-oxidanyl-3-oxidanylidene-prop-1-en-2-yl)indole-2-carboxylic acid

Systemtic Name: 1-[(3,4-dichlorophenyl)methyl]-3-(3-oxidanyl-3-oxidanylidene-prop-1-en-2-yl)indole-2-carboxylic acid Openeye Name: 3-(1-carboxyvinyl)-1-[(3,4-dichlorophenyl)methyl]indole-2-carboxylic acid CAS Name: 1-[(3,4-dichlorophenyl)methyl]-3-(3-hydroxy-3-oxoprop-1-en-2-yl)-2-indolecarboxylic acid IUPAC Name: 1-[(3,4-dichlorophenyl)methyl]-3-(3-hydroxy-3-oxoprop-1-en-2-yl)indole-2-carboxylic acid Traditional Name: 3-(1-carboxyvinyl)-1-(3,4-dichlorobenzyl)indole-2-carboxylic acid Formula: C19H13Cl2NO4 MolecularWeight: 390.21682

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C1=C(N(C2=CC=CC=C21)CC3=CC(=C(C=C3)Cl)Cl)C(=O)O)C(=O)O

Isomeric SMILES

C=C(C1=C(N(C2=CC=CC=C21)CC3=CC(=C(C=C3)Cl)Cl)C(=O)O)C(=O)O

InChI

InChI=1S/C19H13Cl2NO4/c1-10(18(23)24)16-12-4-2-3-5-15(12)22(17(16)19(25)26)9-11-6-7-13(20)14(21)8-11/h2-8H,1,9H2,(H,23,24)(H,25,26)