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

Systemtic Name: 7-chloranyl-N-ethyl-5-nitro-N-(phenylmethyl)-1,2,3,4-tetrahydroxanthen-4a-amine Openeye Name: N-benzyl-7-chloro-N-ethyl-5-nitro-1,2,3,4-tetrahydroxanthen-4a-amine CAS Name: 7-chloro-N-ethyl-5-nitro-N-(phenylmethyl)-1,2,3,4-tetrahydroxanthen-4a-amine IUPAC Name: N-benzyl-7-chloro-N-ethyl-5-nitro-1,2,3,4-tetrahydroxanthen-4a-amine Traditional Name: benzyl-(7-chloro-5-nitro-1,2,3,4-tetrahydroxanthen-4a-yl)-ethyl-amine Formula: C22H23ClN2O3 MolecularWeight: 398.88262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClN2O3/c1-2-24(15-16-8-4-3-5-9-16)22-11-7-6-10-18(22)12-17-13-19(23)14-20(25(26)27)21(17)28-22/h3-5,8-9,12-14H,2,6-7,10-11,15H2,1H3