(E)-3-[1-methyl-4-[(E)-3-naphthalen-2-yl-3-oxidanylidene-prop-1-enyl]pyrrol-2-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[1-methyl-4-[(E)-3-naphthalen-2-yl-3-oxidanylidene-prop-1-enyl]pyrrol-2-yl]prop-2-enoic acid Openeye Name: (E)-3-[1-methyl-4-[(E)-3-(2-naphthyl)-3-oxo-prop-1-enyl]pyrrol-2-yl]prop-2-enoic acid CAS Name: (E)-3-[1-methyl-4-[(E)-3-(2-naphthalenyl)-3-oxoprop-1-enyl]-2-pyrrolyl]-2-propenoic acid IUPAC Name: (E)-3-[1-methyl-4-[(E)-3-naphthalen-2-yl-3-oxoprop-1-enyl]pyrrol-2-yl]prop-2-enoic acid Traditional Name: (E)-3-[4-[(E)-3-keto-3-(2-naphthyl)prop-1-enyl]-1-methyl-pyrrol-2-yl]acrylic acid Formula: C21H17NO3 MolecularWeight: 331.36458

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C=CC(=O)O)C=CC(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CN1C=C(C=C1/C=C/C(=O)O)/C=C/C(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H17NO3/c1-22-14-15(12-19(22)9-11-21(24)25)6-10-20(23)18-8-7-16-4-2-3-5-17(16)13-18/h2-14H,1H3,(H,24,25)/b10-6+,11-9+