2,3-dihydro-1,4-benzodioxin-3-yl-(2-methyl-5-nitro-phenyl)methanamine

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-3-yl-(2-methyl-5-nitro-phenyl)methanamine Openeye Name: 2,3-dihydro-1,4-benzodioxin-3-yl-(2-methyl-5-nitro-phenyl)methanamine CAS Name: 2,3-dihydro-1,4-benzodioxin-3-yl-(2-methyl-5-nitrophenyl)methanamine IUPAC Name: 2,3-dihydro-1,4-benzodioxin-3-yl-(2-methyl-5-nitrophenyl)methanamine Traditional Name: [2,3-dihydro-1,4-benzodioxin-3-yl-(2-methyl-5-nitro-phenyl)methyl]amine Formula: C16H16N2O4 MolecularWeight: 300.30924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])C(C2COC3=CC=CC=C3O2)N

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])C(C2COC3=CC=CC=C3O2)N

InChI

InChI=1S/C16H16N2O4/c1-10-6-7-11(18(19)20)8-12(10)16(17)15-9-21-13-4-2-3-5-14(13)22-15/h2-8,15-16H,9,17H2,1H3