N-[(5-bromanyl-2-methoxy-phenyl)methyl]-3-nitro-aniline

Systemtic Name: N-[(5-bromanyl-2-methoxy-phenyl)methyl]-3-nitro-aniline Openeye Name: N-[(5-bromo-2-methoxy-phenyl)methyl]-3-nitro-aniline CAS Name: N-[(5-bromo-2-methoxyphenyl)methyl]-3-nitroaniline IUPAC Name: N-[(5-bromo-2-methoxyphenyl)methyl]-3-nitroaniline Traditional Name: (5-bromo-2-methoxy-benzyl)-(3-nitrophenyl)amine Formula: C14H13BrN2O3 MolecularWeight: 337.16862

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CNC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CNC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H13BrN2O3/c1-20-14-6-5-11(15)7-10(14)9-16-12-3-2-4-13(8-12)17(18)19/h2-8,16H,9H2,1H3