N-butyl-7-chloranyl-N-methyl-5-nitro-1,2,3,4-tetrahydroxanthen-4a-amine

Systemtic Name: N-butyl-7-chloranyl-N-methyl-5-nitro-1,2,3,4-tetrahydroxanthen-4a-amine Openeye Name: N-butyl-7-chloro-N-methyl-5-nitro-1,2,3,4-tetrahydroxanthen-4a-amine CAS Name: N-butyl-7-chloro-N-methyl-5-nitro-1,2,3,4-tetrahydroxanthen-4a-amine IUPAC Name: N-butyl-7-chloro-N-methyl-5-nitro-1,2,3,4-tetrahydroxanthen-4a-amine Traditional Name: butyl-(7-chloro-5-nitro-1,2,3,4-tetrahydroxanthen-4a-yl)-methyl-amine Formula: C18H23ClN2O3 MolecularWeight: 350.83982

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C12CCCCC1=CC3=CC(=CC(=C3O2)[N+](=O)[O-])Cl

Isomeric SMILES

CCCCN(C)C12CCCCC1=CC3=CC(=CC(=C3O2)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H23ClN2O3/c1-3-4-9-20(2)18-8-6-5-7-14(18)10-13-11-15(19)12-16(21(22)23)17(13)24-18/h10-12H,3-9H2,1-2H3