1-[(3,4-dichlorophenyl)methyl]-3-[(3-oxidanyl-3-oxidanylidene-propanoyl)amino]indole-2-carboxylic acid

Systemtic Name: 1-[(3,4-dichlorophenyl)methyl]-3-[(3-oxidanyl-3-oxidanylidene-propanoyl)amino]indole-2-carboxylic acid Openeye Name: 1-[(3,4-dichlorophenyl)methyl]-3-[(3-hydroxy-3-oxo-propanoyl)amino]indole-2-carboxylic acid CAS Name: 1-[(3,4-dichlorophenyl)methyl]-3-[(3-hydroxy-1,3-dioxopropyl)amino]-2-indolecarboxylic acid IUPAC Name: 1-[(3,4-dichlorophenyl)methyl]-3-[(3-hydroxy-3-oxopropanoyl)amino]indole-2-carboxylic acid Traditional Name: 1-(3,4-dichlorobenzyl)-3-[(3-hydroxy-3-keto-propanoyl)amino]indole-2-carboxylic acid Formula: C19H14Cl2N2O5 MolecularWeight: 421.23086

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(N2CC3=CC(=C(C=C3)Cl)Cl)C(=O)O)NC(=O)CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(N2CC3=CC(=C(C=C3)Cl)Cl)C(=O)O)NC(=O)CC(=O)O

InChI

InChI=1S/C19H14Cl2N2O5/c20-12-6-5-10(7-13(12)21)9-23-14-4-2-1-3-11(14)17(18(23)19(27)28)22-15(24)8-16(25)26/h1-7H,8-9H2,(H,22,24)(H,25,26)(H,27,28)