5-bromanyl-2-[(4-methoxyphenyl)methyl]-4-nitro-N-(phenylmethyl)pyrazol-3-amine

Systemtic Name: 5-bromanyl-2-[(4-methoxyphenyl)methyl]-4-nitro-N-(phenylmethyl)pyrazol-3-amine Openeye Name: N-benzyl-5-bromo-2-[(4-methoxyphenyl)methyl]-4-nitro-pyrazol-3-amine CAS Name: 5-bromo-2-[(4-methoxyphenyl)methyl]-4-nitro-N-(phenylmethyl)-3-pyrazolamine IUPAC Name: N-benzyl-5-bromo-2-[(4-methoxyphenyl)methyl]-4-nitropyrazol-3-amine Traditional Name: benzyl-(5-bromo-4-nitro-2-p-anisyl-pyrazol-3-yl)amine Formula: C18H17BrN4O3 MolecularWeight: 417.25658

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C(=C(C(=N2)Br)[N+](=O)[O-])NCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)CN2C(=C(C(=N2)Br)[N+](=O)[O-])NCC3=CC=CC=C3

InChI

InChI=1S/C18H17BrN4O3/c1-26-15-9-7-14(8-10-15)12-22-18(16(23(24)25)17(19)21-22)20-11-13-5-3-2-4-6-13/h2-10,20H,11-12H2,1H3