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

Systemtic Name: 4-bromanyl-3-methyl-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]aniline Openeye Name: 4-bromo-3-methyl-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]aniline CAS Name: 4-bromo-3-methyl-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]aniline IUPAC Name: 4-bromo-3-methyl-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]aniline Traditional Name: (4-bromo-3-methyl-phenyl)-[(6-nitro-1,3-benzodioxol-5-yl)methyl]amine Formula: C15H13BrN2O4 MolecularWeight: 365.17872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13BrN2O4/c1-9-4-11(2-3-12(9)16)17-7-10-5-14-15(22-8-21-14)6-13(10)18(19)20/h2-6,17H,7-8H2,1H3