3-butoxy-4-[(1Z)-1-(3,3-dimethyl-1H-indol-2-ylidene)propyl]cyclobut-3-ene-1,2-dione

Systemtic Name: 3-butoxy-4-[(1Z)-1-(3,3-dimethyl-1H-indol-2-ylidene)propyl]cyclobut-3-ene-1,2-dione Openeye Name: 3-butoxy-4-[(1Z)-1-(3,3-dimethylindolin-2-ylidene)propyl]cyclobut-3-ene-1,2-dione CAS Name: 3-butoxy-4-[(1Z)-1-(3,3-dimethyl-1H-indol-2-ylidene)propyl]cyclobut-3-ene-1,2-dione IUPAC Name: 3-butoxy-4-[(1Z)-1-(3,3-dimethyl-1H-indol-2-ylidene)propyl]cyclobut-3-ene-1,2-dione Traditional Name: 3-butoxy-4-[(1Z)-1-(3,3-dimethylindolin-2-ylidene)propyl]cyclobut-3-ene-1,2-quinone Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C(=O)C1=O)C(=C2C(C3=CC=CC=C3N2)(C)C)CC

Isomeric SMILES

CCCCOC1=C(C(=O)C1=O)/C(=C\2/C(C3=CC=CC=C3N2)(C)C)/CC

InChI

InChI=1S/C21H25NO3/c1-5-7-12-25-19-16(17(23)18(19)24)13(6-2)20-21(3,4)14-10-8-9-11-15(14)22-20/h8-11,22H,5-7,12H2,1-4H3/b20-13-