7-chloranyl-5-nitro-N-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydroxanthen-4a-amine

Systemtic Name: 7-chloranyl-5-nitro-N-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydroxanthen-4a-amine Openeye Name: 7-chloro-5-nitro-N-(3-pyridylmethyl)-1,2,3,4-tetrahydroxanthen-4a-amine CAS Name: 7-chloro-5-nitro-N-(3-pyridinylmethyl)-1,2,3,4-tetrahydroxanthen-4a-amine IUPAC Name: 7-chloro-5-nitro-N-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydroxanthen-4a-amine Traditional Name: (7-chloro-5-nitro-1,2,3,4-tetrahydroxanthen-4a-yl)-(3-pyridylmethyl)amine Formula: C19H18ClN3O3 MolecularWeight: 371.81752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(C(=CC3=CC(=CC(=C3O2)[N+](=O)[O-])Cl)C1)NCC4=CN=CC=C4

Isomeric SMILES

C1CCC2(C(=CC3=CC(=CC(=C3O2)[N+](=O)[O-])Cl)C1)NCC4=CN=CC=C4

InChI

InChI=1S/C19H18ClN3O3/c20-16-9-14-8-15-5-1-2-6-19(15,22-12-13-4-3-7-21-11-13)26-18(14)17(10-16)23(24)25/h3-4,7-11,22H,1-2,5-6,12H2