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

Systemtic Name: 4,6-bis(chloranyl)-3-[(E)-2-cyano-3-oxidanylidene-3-phenylazanyl-prop-1-enyl]-1H-indole-2-carboxylic acid Openeye Name: 3-[(E)-3-anilino-2-cyano-3-oxo-prop-1-enyl]-4,6-dichloro-1H-indole-2-carboxylic acid CAS Name: 3-[(E)-3-anilino-2-cyano-3-oxoprop-1-enyl]-4,6-dichloro-1H-indole-2-carboxylic acid IUPAC Name: 3-[(E)-3-anilino-2-cyano-3-oxoprop-1-enyl]-4,6-dichloro-1H-indole-2-carboxylic acid Traditional Name: 3-[(E)-3-anilino-2-cyano-3-keto-prop-1-enyl]-4,6-dichloro-1H-indole-2-carboxylic acid Formula: C19H11Cl2N3O3 MolecularWeight: 400.21494

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)C(=CC2=C(NC3=CC(=CC(=C32)Cl)Cl)C(=O)O)C#N

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)/C(=C/C2=C(NC3=CC(=CC(=C32)Cl)Cl)C(=O)O)/C#N

InChI

InChI=1S/C19H11Cl2N3O3/c20-11-7-14(21)16-13(17(19(26)27)24-15(16)8-11)6-10(9-22)18(25)23-12-4-2-1-3-5-12/h1-8,24H,(H,23,25)(H,26,27)/b10-6+