3-chloranyl-4-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]cyclobut-3-ene-1,2-dione

Systemtic Name: 3-chloranyl-4-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]cyclobut-3-ene-1,2-dione Openeye Name: 3-chloro-4-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]cyclobut-3-ene-1,2-dione CAS Name: 3-chloro-4-[1-[(2,5-dimethylphenyl)methyl]-3-indolyl]cyclobut-3-ene-1,2-dione IUPAC Name: 3-chloro-4-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]cyclobut-3-ene-1,2-dione Traditional Name: 3-chloro-4-[1-(2,5-dimethylbenzyl)indol-3-yl]cyclobut-3-ene-1,2-quinone Formula: C21H16ClNO2 MolecularWeight: 349.81024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CN2C=C(C3=CC=CC=C32)C4=C(C(=O)C4=O)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C)CN2C=C(C3=CC=CC=C32)C4=C(C(=O)C4=O)Cl

InChI

InChI=1S/C21H16ClNO2/c1-12-7-8-13(2)14(9-12)10-23-11-16(15-5-3-4-6-17(15)23)18-19(22)21(25)20(18)24/h3-9,11H,10H2,1-2H3