4,6-bis(chloranyl)-3-[(E)-3-oxidanylidene-3-[(2-propan-2-ylphenyl)amino]prop-1-enyl]-1H-indole-2-carboxylic acid

Systemtic Name: 4,6-bis(chloranyl)-3-[(E)-3-oxidanylidene-3-[(2-propan-2-ylphenyl)amino]prop-1-enyl]-1H-indole-2-carboxylic acid Openeye Name: 4,6-dichloro-3-[(E)-3-(2-isopropylanilino)-3-oxo-prop-1-enyl]-1H-indole-2-carboxylic acid CAS Name: 4,6-dichloro-3-[(E)-3-oxo-3-(2-propan-2-ylanilino)prop-1-enyl]-1H-indole-2-carboxylic acid IUPAC Name: 4,6-dichloro-3-[(E)-3-oxo-3-(2-propan-2-ylanilino)prop-1-enyl]-1H-indole-2-carboxylic acid Traditional Name: 4,6-dichloro-3-[(E)-3-(2-isopropylanilino)-3-keto-prop-1-enyl]-1H-indole-2-carboxylic acid Formula: C21H18Cl2N2O3 MolecularWeight: 417.28522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=O)C=CC2=C(NC3=CC(=CC(=C32)Cl)Cl)C(=O)O

Isomeric SMILES

CC(C)C1=CC=CC=C1NC(=O)/C=C/C2=C(NC3=CC(=CC(=C32)Cl)Cl)C(=O)O

InChI

InChI=1S/C21H18Cl2N2O3/c1-11(2)13-5-3-4-6-16(13)24-18(26)8-7-14-19-15(23)9-12(22)10-17(19)25-20(14)21(27)28/h3-11,25H,1-2H3,(H,24,26)(H,27,28)/b8-7+