ethyl (2S,3Z)-3-[(4-methylphenyl)methylidene]-1,4-bis(oxidanylidene)naphthalene-2-carboxylate

Systemtic Name: ethyl (2S,3Z)-3-[(4-methylphenyl)methylidene]-1,4-bis(oxidanylidene)naphthalene-2-carboxylate Openeye Name: ethyl (2S,3Z)-1,4-dioxo-3-(p-tolylmethylene)tetralin-2-carboxylate CAS Name: (2S,3Z)-3-[(4-methylphenyl)methylidene]-1,4-dioxo-2-naphthalenecarboxylic acid ethyl ester IUPAC Name: ethyl (2S,3Z)-3-[(4-methylphenyl)methylidene]-1,4-dioxonaphthalene-2-carboxylate Traditional Name: (2S,3Z)-1,4-diketo-3-(4-methylbenzylidene)tetralin-2-carboxylic acid ethyl ester Formula: C21H18O4 MolecularWeight: 334.36522

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(=CC2=CC=C(C=C2)C)C(=O)C3=CC=CC=C3C1=O

Isomeric SMILES

CCOC(=O)[C@H]1/C(=C/C2=CC=C(C=C2)C)/C(=O)C3=CC=CC=C3C1=O

InChI

InChI=1S/C21H18O4/c1-3-25-21(24)18-17(12-14-10-8-13(2)9-11-14)19(22)15-6-4-5-7-16(15)20(18)23/h4-12,18H,3H2,1-2H3/b17-12-/t18-/m0/s1