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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(C(=CC3=CC(=CC(=C3O2)[N+](=O)[O-])Cl)C1)NCCC4=CC=CC=C4

Isomeric SMILES

C1CCC2(C(=CC3=CC(=CC(=C3O2)[N+](=O)[O-])Cl)C1)NCCC4=CC=CC=C4

InChI

InChI=1S/C21H21ClN2O3/c22-18-13-16-12-17-8-4-5-10-21(17,27-20(16)19(14-18)24(25)26)23-11-9-15-6-2-1-3-7-15/h1-3,6-7,12-14,23H,4-5,8-11H2