N-(1,3-benzodioxol-5-ylmethyl)-4-[(4-bromanyl-3-nitro-pyrazol-1-yl)methyl]benzamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(4-bromanyl-3-nitro-pyrazol-1-yl)methyl]benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(4-bromo-3-nitro-1-pyrazolyl)methyl]benzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(4-bromo-3-nitropyrazol-1-yl)methyl]benzamide Traditional Name: 4-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]-N-piperonyl-benzamide Formula: C19H15BrN4O5 MolecularWeight: 459.2502

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC=C(C=C3)CN4C=C(C(=N4)[N+](=O)[O-])Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC=C(C=C3)CN4C=C(C(=N4)[N+](=O)[O-])Br

InChI

InChI=1S/C19H15BrN4O5/c20-15-10-23(22-18(15)24(26)27)9-12-1-4-14(5-2-12)19(25)21-8-13-3-6-16-17(7-13)29-11-28-16/h1-7,10H,8-9,11H2,(H,21,25)