3,5-dimethyl-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]aniline

Systemtic Name: 3,5-dimethyl-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]aniline Openeye Name: 3,5-dimethyl-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]aniline CAS Name: 3,5-dimethyl-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]aniline IUPAC Name: 3,5-dimethyl-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]aniline Traditional Name: (3,5-dimethylphenyl)-[(6-nitro-1,3-benzodioxol-5-yl)methyl]amine Formula: C16H16N2O4 MolecularWeight: 300.30924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NCC2=CC3=C(C=C2[N+](=O)[O-])OCO3)C

Isomeric SMILES

CC1=CC(=CC(=C1)NCC2=CC3=C(C=C2[N+](=O)[O-])OCO3)C

InChI

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