4-[bis[5-[(E)-2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl]-1H-pyrrol-2-yl]methyl]benzoic acid

Systemtic Name: 4-[bis[5-[(E)-2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl]-1H-pyrrol-2-yl]methyl]benzoic acid Openeye Name: 4-[bis[5-[(E)-2-cyano-3-ethoxy-3-oxo-prop-1-enyl]-1H-pyrrol-2-yl]methyl]benzoic acid CAS Name: 4-[bis[5-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-1H-pyrrol-2-yl]methyl]benzoic acid IUPAC Name: 4-[bis[5-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-1H-pyrrol-2-yl]methyl]benzoic acid Traditional Name: 4-[bis[5-[(E)-2-cyano-3-ethoxy-3-keto-prop-1-enyl]-1H-pyrrol-2-yl]methyl]benzoic acid Formula: C28H24N4O6 MolecularWeight: 512.51336

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CC=C(N1)C(C2=CC=C(C=C2)C(=O)O)C3=CC=C(N3)C=C(C#N)C(=O)OCC)C#N

Isomeric SMILES

CCOC(=O)/C(=C/C1=CC=C(N1)C(C2=CC=C(N2)/C=C(/C(=O)OCC)\C#N)C3=CC=C(C=C3)C(=O)O)/C#N

InChI

InChI=1S/C28H24N4O6/c1-3-37-27(35)19(15-29)13-21-9-11-23(31-21)25(17-5-7-18(8-6-17)26(33)34)24-12-10-22(32-24)14-20(16-30)28(36)38-4-2/h5-14,25,31-32H,3-4H2,1-2H3,(H,33,34)/b19-13+,20-14+