N-[(4-bromanyl-3-nitro-phenyl)methyl]-3-nitro-aniline

Systemtic Name: N-[(4-bromanyl-3-nitro-phenyl)methyl]-3-nitro-aniline Openeye Name: N-[(4-bromo-3-nitro-phenyl)methyl]-3-nitro-aniline CAS Name: N-[(4-bromo-3-nitrophenyl)methyl]-3-nitroaniline IUPAC Name: N-[(4-bromo-3-nitrophenyl)methyl]-3-nitroaniline Traditional Name: (4-bromo-3-nitro-benzyl)-(3-nitrophenyl)amine Formula: C13H10BrN3O4 MolecularWeight: 352.1402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10BrN3O4/c14-12-5-4-9(6-13(12)17(20)21)8-15-10-2-1-3-11(7-10)16(18)19/h1-7,15H,8H2