4-[3-[(Z)-2-cyano-3-(naphthalen-2-ylamino)-3-oxidanylidene-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoate

Systemtic Name: 4-[3-[(Z)-2-cyano-3-(naphthalen-2-ylamino)-3-oxidanylidene-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoate Openeye Name: 4-[3-[(Z)-2-cyano-3-(2-naphthylamino)-3-oxo-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoate CAS Name: 4-[3-[(Z)-2-cyano-3-(2-naphthalenylamino)-3-oxoprop-1-enyl]-2,5-dimethyl-1-pyrrolyl]benzoate IUPAC Name: 4-[3-[(Z)-2-cyano-3-(naphthalen-2-ylamino)-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-1-yl]benzoate Traditional Name: 4-[3-[(Z)-2-cyano-3-keto-3-(2-naphthylamino)prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoate Formula: C27H20N3O3- MolecularWeight: 434.466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)[O-])C)/C=C(/C#N)\C(=O)NC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C27H21N3O3/c1-17-13-22(18(2)30(17)25-11-8-20(9-12-25)27(32)33)14-23(16-28)26(31)29-24-10-7-19-5-3-4-6-21(19)15-24/h3-15H,1-2H3,(H,29,31)(H,32,33)/p-1/b23-14-