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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(C(=CC3=C(O2)C=CC(=C3)[N+](=O)[O-])C1)NCC4=CC=CC=C4

Isomeric SMILES

C1CCC2(C(=CC3=C(O2)C=CC(=C3)[N+](=O)[O-])C1)NCC4=CC=CC=C4

InChI

InChI=1S/C20H20N2O3/c23-22(24)18-9-10-19-16(13-18)12-17-8-4-5-11-20(17,25-19)21-14-15-6-2-1-3-7-15/h1-3,6-7,9-10,12-13,21H,4-5,8,11,14H2