5-bromanyl-2-(2-methoxyethyl)-4-nitro-N-(phenylmethyl)pyrazol-3-amine

Systemtic Name: 5-bromanyl-2-(2-methoxyethyl)-4-nitro-N-(phenylmethyl)pyrazol-3-amine Openeye Name: N-benzyl-5-bromo-2-(2-methoxyethyl)-4-nitro-pyrazol-3-amine CAS Name: 5-bromo-2-(2-methoxyethyl)-4-nitro-N-(phenylmethyl)-3-pyrazolamine IUPAC Name: N-benzyl-5-bromo-2-(2-methoxyethyl)-4-nitropyrazol-3-amine Traditional Name: benzyl-[5-bromo-2-(2-methoxyethyl)-4-nitro-pyrazol-3-yl]amine Formula: C13H15BrN4O3 MolecularWeight: 355.1872

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=C(C(=N1)Br)[N+](=O)[O-])NCC2=CC=CC=C2

Isomeric SMILES

COCCN1C(=C(C(=N1)Br)[N+](=O)[O-])NCC2=CC=CC=C2

InChI

InChI=1S/C13H15BrN4O3/c1-21-8-7-17-13(11(18(19)20)12(14)16-17)15-9-10-5-3-2-4-6-10/h2-6,15H,7-9H2,1H3