2-cyano-3-(2,5-dimethyl-1-naphthalen-1-yl-pyrrol-3-yl)prop-2-enoic acid

Systemtic Name: 2-cyano-3-(2,5-dimethyl-1-naphthalen-1-yl-pyrrol-3-yl)prop-2-enoic acid Openeye Name: 2-cyano-3-[2,5-dimethyl-1-(1-naphthyl)pyrrol-3-yl]prop-2-enoic acid CAS Name: 2-cyano-3-[2,5-dimethyl-1-(1-naphthalenyl)-3-pyrrolyl]-2-propenoic acid IUPAC Name: 2-cyano-3-(2,5-dimethyl-1-naphthalen-1-ylpyrrol-3-yl)prop-2-enoic acid Traditional Name: 2-cyano-3-[2,5-dimethyl-1-(1-naphthyl)pyrrol-3-yl]acrylic acid Formula: C20H16N2O2 MolecularWeight: 316.35324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC3=CC=CC=C32)C)C=C(C#N)C(=O)O

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC3=CC=CC=C32)C)C=C(C#N)C(=O)O

InChI

InChI=1S/C20H16N2O2/c1-13-10-16(11-17(12-21)20(23)24)14(2)22(13)19-9-5-7-15-6-3-4-8-18(15)19/h3-11H,1-2H3,(H,23,24)