N-[(2-bromophenyl)methyl]-4-methyl-3-nitro-aniline

Systemtic Name: N-[(2-bromophenyl)methyl]-4-methyl-3-nitro-aniline Openeye Name: N-[(2-bromophenyl)methyl]-4-methyl-3-nitro-aniline CAS Name: N-[(2-bromophenyl)methyl]-4-methyl-3-nitroaniline IUPAC Name: N-[(2-bromophenyl)methyl]-4-methyl-3-nitroaniline Traditional Name: (2-bromobenzyl)-(4-methyl-3-nitro-phenyl)amine Formula: C14H13BrN2O2 MolecularWeight: 321.16922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NCC2=CC=CC=C2Br)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NCC2=CC=CC=C2Br)[N+](=O)[O-]

InChI

InChI=1S/C14H13BrN2O2/c1-10-6-7-12(8-14(10)17(18)19)16-9-11-4-2-3-5-13(11)15/h2-8,16H,9H2,1H3