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

Systemtic Name: (3-chloranyl-6-nitro-1-benzothiophen-2-yl)-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)methanone Openeye Name: (3-chloro-6-nitro-benzothiophen-2-yl)-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)methanone CAS Name: (3-chloro-6-nitro-1-benzothiophen-2-yl)-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)methanone IUPAC Name: (3-chloro-6-nitro-1-benzothiophen-2-yl)-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)methanone Traditional Name: (3-chloro-6-nitro-benzothiophen-2-yl)-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)methanone Formula: C21H19ClN2O3S MolecularWeight: 414.90516

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(N(C2=CC=CC=C12)C(=O)C3=C(C4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl)(C)C

Isomeric SMILES

CC1CC(N(C2=CC=CC=C12)C(=O)C3=C(C4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl)(C)C

InChI

InChI=1S/C21H19ClN2O3S/c1-12-11-21(2,3)23(16-7-5-4-6-14(12)16)20(25)19-18(22)15-9-8-13(24(26)27)10-17(15)28-19/h4-10,12H,11H2,1-3H3