(3-chloranyl-6-nitro-1-benzothiophen-2-yl)-(2,2,4,6,7-pentamethylquinolin-1-yl)methanone

Systemtic Name: (3-chloranyl-6-nitro-1-benzothiophen-2-yl)-(2,2,4,6,7-pentamethylquinolin-1-yl)methanone Openeye Name: (3-chloro-6-nitro-benzothiophen-2-yl)-(2,2,4,6,7-pentamethyl-1-quinolyl)methanone CAS Name: (3-chloro-6-nitro-1-benzothiophen-2-yl)-(2,2,4,6,7-pentamethyl-1-quinolinyl)methanone IUPAC Name: (3-chloro-6-nitro-1-benzothiophen-2-yl)-(2,2,4,6,7-pentamethylquinolin-1-yl)methanone Traditional Name: (3-chloro-6-nitro-benzothiophen-2-yl)-(2,2,4,6,7-pentamethyl-1-quinolyl)methanone Formula: C23H21ClN2O3S MolecularWeight: 440.94244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(N2C(=O)C3=C(C4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl)(C)C)C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(N2C(=O)C3=C(C4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl)(C)C)C)C

InChI

InChI=1S/C23H21ClN2O3S/c1-12-8-17-14(3)11-23(4,5)25(18(17)9-13(12)2)22(27)21-20(24)16-7-6-15(26(28)29)10-19(16)30-21/h6-11H,1-5H3