3-[2-[(E)-3-[(3-bromophenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]pyrrol-1-yl]benzoate

Systemtic Name: 3-[2-[(E)-3-[(3-bromophenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]pyrrol-1-yl]benzoate Openeye Name: 3-[2-[(E)-3-(3-bromoanilino)-2-cyano-3-oxo-prop-1-enyl]pyrrol-1-yl]benzoate CAS Name: 3-[2-[(E)-3-(3-bromoanilino)-2-cyano-3-oxoprop-1-enyl]-1-pyrrolyl]benzoate IUPAC Name: 3-[2-[(E)-3-(3-bromoanilino)-2-cyano-3-oxoprop-1-enyl]pyrrol-1-yl]benzoate Traditional Name: 3-[2-[(E)-3-(3-bromoanilino)-2-cyano-3-keto-prop-1-enyl]pyrrol-1-yl]benzoate Formula: C21H13BrN3O3- MolecularWeight: 435.25022

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C=CC=C2C=C(C#N)C(=O)NC3=CC(=CC=C3)Br)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)N2C=CC=C2/C=C(\C#N)/C(=O)NC3=CC(=CC=C3)Br)C(=O)[O-]

InChI

InChI=1S/C21H14BrN3O3/c22-16-5-2-6-17(12-16)24-20(26)15(13-23)11-19-8-3-9-25(19)18-7-1-4-14(10-18)21(27)28/h1-12H,(H,24,26)(H,27,28)/p-1/b15-11+