N-(2-methylphenyl)-7-nitro-1,2,3,4-tetrahydroxanthen-4a-amine

Systemtic Name: N-(2-methylphenyl)-7-nitro-1,2,3,4-tetrahydroxanthen-4a-amine Openeye Name: 7-nitro-N-(o-tolyl)-1,2,3,4-tetrahydroxanthen-4a-amine CAS Name: N-(2-methylphenyl)-7-nitro-1,2,3,4-tetrahydroxanthen-4a-amine IUPAC Name: N-(2-methylphenyl)-7-nitro-1,2,3,4-tetrahydroxanthen-4a-amine Traditional Name: (7-nitro-1,2,3,4-tetrahydroxanthen-4a-yl)-(o-tolyl)amine Formula: C20H20N2O3 MolecularWeight: 336.3844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC23CCCCC2=CC4=C(O3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1NC23CCCCC2=CC4=C(O3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O3/c1-14-6-2-3-8-18(14)21-20-11-5-4-7-16(20)12-15-13-17(22(23)24)9-10-19(15)25-20/h2-3,6,8-10,12-13,21H,4-5,7,11H2,1H3