(E)-but-2-enedioic acid; (E)-3-(5-methyl-1H-imidazol-4-yl)-1-naphthalen-1-yl-prop-2-en-1-one

Systemtic Name: (E)-but-2-enedioic acid; (E)-3-(5-methyl-1H-imidazol-4-yl)-1-naphthalen-1-yl-prop-2-en-1-one Openeye Name: fumaric acid; (E)-3-(5-methyl-1H-imidazol-4-yl)-1-(1-naphthyl)prop-2-en-1-one CAS Name: (E)-2-butenedioic acid; (E)-3-(5-methyl-1H-imidazol-4-yl)-1-(1-naphthalenyl)-2-propen-1-one IUPAC Name: (E)-but-2-enedioic acid; (E)-3-(5-methyl-1H-imidazol-4-yl)-1-naphthalen-1-ylprop-2-en-1-one Traditional Name: fumaric acid; (E)-3-(5-methyl-1H-imidazol-4-yl)-1-(1-naphthyl)prop-2-en-1-one Formula: C21H18N2O5 MolecularWeight: 378.37802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)C=CC(=O)C2=CC=CC3=CC=CC=C32.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=C(N=CN1)/C=C/C(=O)C2=CC=CC3=CC=CC=C32.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C17H14N2O.C4H4O4/c1-12-16(19-11-18-12)9-10-17(20)15-8-4-6-13-5-2-3-7-14(13)15;5-3(6)1-2-4(7)8/h2-11H,1H3,(H,18,19);1-2H,(H,5,6)(H,7,8)/b10-9+;2-1+