2-bromanyl-5-methoxy-6-methyl-3-[(E)-[1-(1-phenylethyl)pyrrolidin-2-ylidene]methyl]cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 2-bromanyl-5-methoxy-6-methyl-3-[(E)-[1-(1-phenylethyl)pyrrolidin-2-ylidene]methyl]cyclohexa-2,5-diene-1,4-dione Openeye Name: 2-bromo-5-methoxy-6-methyl-3-[(E)-[1-(1-phenylethyl)pyrrolidin-2-ylidene]methyl]-1,4-benzoquinone CAS Name: 2-bromo-5-methoxy-6-methyl-3-[(E)-[1-(1-phenylethyl)-2-pyrrolidinylidene]methyl]cyclohexa-2,5-diene-1,4-dione IUPAC Name: 2-bromo-5-methoxy-6-methyl-3-[(E)-[1-(1-phenylethyl)pyrrolidin-2-ylidene]methyl]cyclohexa-2,5-diene-1,4-dione Traditional Name: 2-bromo-5-methoxy-6-methyl-3-[(E)-[1-(1-phenylethyl)pyrrolidin-2-ylidene]methyl]-p-benzoquinone Formula: C21H22BrNO3 MolecularWeight: 416.30828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C(=C(C1=O)Br)C=C2CCCN2C(C)C3=CC=CC=C3)OC

Isomeric SMILES

CC1=C(C(=O)C(=C(C1=O)Br)/C=C/2\CCCN2C(C)C3=CC=CC=C3)OC

InChI

InChI=1S/C21H22BrNO3/c1-13-19(24)18(22)17(20(25)21(13)26-3)12-16-10-7-11-23(16)14(2)15-8-5-4-6-9-15/h4-6,8-9,12,14H,7,10-11H2,1-3H3/b16-12+