3-[3-[2-cyano-3-(naphthalen-2-ylamino)-3-oxidanylidene-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid

Systemtic Name: 3-[3-[2-cyano-3-(naphthalen-2-ylamino)-3-oxidanylidene-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid Openeye Name: 3-[3-[2-cyano-3-(2-naphthylamino)-3-oxo-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid CAS Name: 3-[3-[2-cyano-3-(2-naphthalenylamino)-3-oxoprop-1-enyl]-2,5-dimethyl-1-pyrrolyl]benzoic acid IUPAC Name: 3-[3-[2-cyano-3-(naphthalen-2-ylamino)-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-1-yl]benzoic acid Traditional Name: 3-[3-[2-cyano-3-keto-3-(2-naphthylamino)prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid Formula: C27H21N3O3 MolecularWeight: 435.47394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC(=C2)C(=O)O)C)C=C(C#N)C(=O)NC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC(=C2)C(=O)O)C)C=C(C#N)C(=O)NC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C27H21N3O3/c1-17-12-22(18(2)30(17)25-9-5-8-21(15-25)27(32)33)13-23(16-28)26(31)29-24-11-10-19-6-3-4-7-20(19)14-24/h3-15H,1-2H3,(H,29,31)(H,32,33)