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

Systemtic Name: 7-chloranyl-N-methyl-5-nitro-N-(phenylmethyl)-1,2,3,4-tetrahydroxanthen-4a-amine Openeye Name: N-benzyl-7-chloro-N-methyl-5-nitro-1,2,3,4-tetrahydroxanthen-4a-amine CAS Name: 7-chloro-N-methyl-5-nitro-N-(phenylmethyl)-1,2,3,4-tetrahydroxanthen-4a-amine IUPAC Name: N-benzyl-7-chloro-N-methyl-5-nitro-1,2,3,4-tetrahydroxanthen-4a-amine Traditional Name: benzyl-(7-chloro-5-nitro-1,2,3,4-tetrahydroxanthen-4a-yl)-methyl-amine Formula: C21H21ClN2O3 MolecularWeight: 384.85604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C23CCCCC2=CC4=CC(=CC(=C4O3)[N+](=O)[O-])Cl

Isomeric SMILES

CN(CC1=CC=CC=C1)C23CCCCC2=CC4=CC(=CC(=C4O3)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H21ClN2O3/c1-23(14-15-7-3-2-4-8-15)21-10-6-5-9-17(21)11-16-12-18(22)13-19(24(25)26)20(16)27-21/h2-4,7-8,11-13H,5-6,9-10,14H2,1H3