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

Systemtic Name: N-(3,4-dimethylphenyl)-7-nitro-1,2,3,4-tetrahydroxanthen-4a-amine Openeye Name: N-(3,4-dimethylphenyl)-7-nitro-1,2,3,4-tetrahydroxanthen-4a-amine CAS Name: N-(3,4-dimethylphenyl)-7-nitro-1,2,3,4-tetrahydroxanthen-4a-amine IUPAC Name: N-(3,4-dimethylphenyl)-7-nitro-1,2,3,4-tetrahydroxanthen-4a-amine Traditional Name: (3,4-dimethylphenyl)-(7-nitro-1,2,3,4-tetrahydroxanthen-4a-yl)amine Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC23CCCCC2=CC4=C(O3)C=CC(=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)NC23CCCCC2=CC4=C(O3)C=CC(=C4)[N+](=O)[O-])C

InChI

InChI=1S/C21H22N2O3/c1-14-6-7-18(11-15(14)2)22-21-10-4-3-5-17(21)12-16-13-19(23(24)25)8-9-20(16)26-21/h6-9,11-13,22H,3-5,10H2,1-2H3