2-[3-[(E)-3-[(4-bromophenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]indol-1-yl]ethanoic acid

Systemtic Name: 2-[3-[(E)-3-[(4-bromophenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]indol-1-yl]ethanoic acid Openeye Name: 2-[3-[(E)-3-(4-bromoanilino)-2-cyano-3-oxo-prop-1-enyl]indol-1-yl]acetic acid CAS Name: 2-[3-[(E)-3-(4-bromoanilino)-2-cyano-3-oxoprop-1-enyl]-1-indolyl]acetic acid IUPAC Name: 2-[3-[(E)-3-(4-bromoanilino)-2-cyano-3-oxoprop-1-enyl]indol-1-yl]acetic acid Traditional Name: 2-[3-[(E)-3-(4-bromoanilino)-2-cyano-3-keto-prop-1-enyl]indol-1-yl]acetic acid Formula: C20H14BrN3O3 MolecularWeight: 424.24746

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CC(=O)O)C=C(C#N)C(=O)NC3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CC(=O)O)/C=C(\C#N)/C(=O)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C20H14BrN3O3/c21-15-5-7-16(8-6-15)23-20(27)13(10-22)9-14-11-24(12-19(25)26)18-4-2-1-3-17(14)18/h1-9,11H,12H2,(H,23,27)(H,25,26)/b13-9+