(3-chloranyl-6-nitro-1-benzothiophen-2-yl)-(6-methoxy-2,2,4-trimethyl-quinolin-1-yl)methanone

Systemtic Name: (3-chloranyl-6-nitro-1-benzothiophen-2-yl)-(6-methoxy-2,2,4-trimethyl-quinolin-1-yl)methanone Openeye Name: (3-chloro-6-nitro-benzothiophen-2-yl)-(6-methoxy-2,2,4-trimethyl-1-quinolyl)methanone CAS Name: (3-chloro-6-nitro-1-benzothiophen-2-yl)-(6-methoxy-2,2,4-trimethyl-1-quinolinyl)methanone IUPAC Name: (3-chloro-6-nitro-1-benzothiophen-2-yl)-(6-methoxy-2,2,4-trimethylquinolin-1-yl)methanone Traditional Name: (3-chloro-6-nitro-benzothiophen-2-yl)-(6-methoxy-2,2,4-trimethyl-1-quinolyl)methanone Formula: C22H19ClN2O4S MolecularWeight: 442.91526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(N(C2=C1C=C(C=C2)OC)C(=O)C3=C(C4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl)(C)C

Isomeric SMILES

CC1=CC(N(C2=C1C=C(C=C2)OC)C(=O)C3=C(C4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl)(C)C

InChI

InChI=1S/C22H19ClN2O4S/c1-12-11-22(2,3)24(17-8-6-14(29-4)10-16(12)17)21(26)20-19(23)15-7-5-13(25(27)28)9-18(15)30-20/h5-11H,1-4H3