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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClN3O3/c20-16-10-14-9-15-3-1-2-6-19(15,22-12-13-4-7-21-8-5-13)26-18(14)17(11-16)23(24)25/h4-5,7-11,22H,1-3,6,12H2