1,3-benzodioxol-5-yl-(3,4-dimethyl-5-nitro-phenyl)methanamine

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(C2=CC3=C(C=C2)OCO3)N)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(C2=CC3=C(C=C2)OCO3)N)[N+](=O)[O-])C

InChI

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