3-(3-chloranyl-5-methyl-phenyl)-6,7-dimethyl-3-oxidanyl-2-(prop-2-enylamino)-2H-naphthalene-1,4-dione

Systemtic Name: 3-(3-chloranyl-5-methyl-phenyl)-6,7-dimethyl-3-oxidanyl-2-(prop-2-enylamino)-2H-naphthalene-1,4-dione Openeye Name: 3-(allylamino)-2-(3-chloro-5-methyl-phenyl)-2-hydroxy-6,7-dimethyl-tetralin-1,4-dione CAS Name: 3-(3-chloro-5-methylphenyl)-3-hydroxy-6,7-dimethyl-2-(prop-2-enylamino)-2H-naphthalene-1,4-dione IUPAC Name: 3-(3-chloro-5-methylphenyl)-3-hydroxy-6,7-dimethyl-2-(prop-2-enylamino)-2H-naphthalene-1,4-dione Traditional Name: 3-(allylamino)-2-(3-chloro-5-methyl-phenyl)-2-hydroxy-6,7-dimethyl-tetralin-1,4-quinone Formula: C22H22ClNO3 MolecularWeight: 383.86798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2(C(C(=O)C3=CC(=C(C=C3C2=O)C)C)NCC=C)O)Cl

Isomeric SMILES

CC1=CC(=CC(=C1)C2(C(C(=O)C3=CC(=C(C=C3C2=O)C)C)NCC=C)O)Cl

InChI

InChI=1S/C22H22ClNO3/c1-5-6-24-20-19(25)17-9-13(3)14(4)10-18(17)21(26)22(20,27)15-7-12(2)8-16(23)11-15/h5,7-11,20,24,27H,1,6H2,2-4H3