1,3-benzodioxol-5-yl-(2-ethyl-5-nitro-phenyl)methanamine

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)[N+](=O)[O-])C(C2=CC3=C(C=C2)OCO3)N

Isomeric SMILES

CCC1=C(C=C(C=C1)[N+](=O)[O-])C(C2=CC3=C(C=C2)OCO3)N

InChI

InChI=1S/C16H16N2O4/c1-2-10-3-5-12(18(19)20)8-13(10)16(17)11-4-6-14-15(7-11)22-9-21-14/h3-8,16H,2,9,17H2,1H3