4-[(5-bromanyl-2-methoxy-phenyl)methyl-methyl-amino]-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[(5-bromanyl-2-methoxy-phenyl)methyl-methyl-amino]-3-nitro-benzenecarbonitrile Openeye Name: 4-[(5-bromo-2-methoxy-phenyl)methyl-methyl-amino]-3-nitro-benzonitrile CAS Name: 4-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-3-nitrobenzonitrile IUPAC Name: 4-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-3-nitrobenzonitrile Traditional Name: 4-[(5-bromo-2-methoxy-benzyl)-methyl-amino]-3-nitro-benzonitrile Formula: C16H14BrN3O3 MolecularWeight: 376.20466

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=CC(=C1)Br)OC)C2=C(C=C(C=C2)C#N)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=C(C=CC(=C1)Br)OC)C2=C(C=C(C=C2)C#N)[N+](=O)[O-]

InChI

InChI=1S/C16H14BrN3O3/c1-19(10-12-8-13(17)4-6-16(12)23-2)14-5-3-11(9-18)7-15(14)20(21)22/h3-8H,10H2,1-2H3