4-bromanyl-3-methyl-6-nitro-2-[[(phenylmethyl)-propan-2-yl-amino]methyl]aniline

Systemtic Name: 4-bromanyl-3-methyl-6-nitro-2-[[(phenylmethyl)-propan-2-yl-amino]methyl]aniline Openeye Name: 2-[[benzyl(isopropyl)amino]methyl]-4-bromo-3-methyl-6-nitro-aniline CAS Name: 4-bromo-3-methyl-6-nitro-2-[[(phenylmethyl)-propan-2-ylamino]methyl]aniline IUPAC Name: 2-[[benzyl(propan-2-yl)amino]methyl]-4-bromo-3-methyl-6-nitroaniline Traditional Name: (2-amino-5-bromo-6-methyl-3-nitro-benzyl)-benzyl-isopropyl-amine Formula: C18H22BrN3O2 MolecularWeight: 392.29018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1CN(CC2=CC=CC=C2)C(C)C)N)[N+](=O)[O-])Br

Isomeric SMILES

CC1=C(C=C(C(=C1CN(CC2=CC=CC=C2)C(C)C)N)[N+](=O)[O-])Br

InChI

InChI=1S/C18H22BrN3O2/c1-12(2)21(10-14-7-5-4-6-8-14)11-15-13(3)16(19)9-17(18(15)20)22(23)24/h4-9,12H,10-11,20H2,1-3H3