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

Systemtic Name: 2-[3-[(Z)-2-cyano-3-[(4-methoxyphenyl)methylamino]-3-oxidanylidene-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoate Openeye Name: 2-[3-[(Z)-2-cyano-3-[(4-methoxyphenyl)methylamino]-3-oxo-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoate CAS Name: 2-[3-[(Z)-2-cyano-3-[(4-methoxyphenyl)methylamino]-3-oxoprop-1-enyl]-2,5-dimethyl-1-pyrrolyl]benzoate IUPAC Name: 2-[3-[(Z)-2-cyano-3-[(4-methoxyphenyl)methylamino]-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-1-yl]benzoate Traditional Name: 2-[3-[(Z)-2-cyano-3-keto-3-(p-anisylamino)prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoate Formula: C25H22N3O4- MolecularWeight: 428.45988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2C(=O)[O-])C)C=C(C#N)C(=O)NCC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2C(=O)[O-])C)/C=C(/C#N)\C(=O)NCC3=CC=C(C=C3)OC

InChI

InChI=1S/C25H23N3O4/c1-16-12-19(17(2)28(16)23-7-5-4-6-22(23)25(30)31)13-20(14-26)24(29)27-15-18-8-10-21(32-3)11-9-18/h4-13H,15H2,1-3H3,(H,27,29)(H,30,31)/p-1/b20-13-