2-(7-chloranyl-5-nitro-1,2,3,4-tetrahydroxanthen-4a-yl)-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-(7-chloranyl-5-nitro-1,2,3,4-tetrahydroxanthen-4a-yl)-3,4-dihydro-1H-isoquinoline Openeye Name: 2-(7-chloro-5-nitro-1,2,3,4-tetrahydroxanthen-4a-yl)-3,4-dihydro-1H-isoquinoline CAS Name: 2-(7-chloro-5-nitro-1,2,3,4-tetrahydroxanthen-4a-yl)-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-(7-chloro-5-nitro-1,2,3,4-tetrahydroxanthen-4a-yl)-3,4-dihydro-1H-isoquinoline Traditional Name: 2-(7-chloro-5-nitro-1,2,3,4-tetrahydroxanthen-4a-yl)-3,4-dihydro-1H-isoquinoline Formula: C22H21ClN2O3 MolecularWeight: 396.86674

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(C(=CC3=CC(=CC(=C3O2)[N+](=O)[O-])Cl)C1)N4CCC5=CC=CC=C5C4

Isomeric SMILES

C1CCC2(C(=CC3=CC(=CC(=C3O2)[N+](=O)[O-])Cl)C1)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C22H21ClN2O3/c23-19-12-17-11-18-7-3-4-9-22(18,28-21(17)20(13-19)25(26)27)24-10-8-15-5-1-2-6-16(15)14-24/h1-2,5-6,11-13H,3-4,7-10,14H2