N-[(E)-(6-bromanyl-1,3-benzodioxol-5-yl)methylideneamino]-3-[(5-methyl-3-nitro-pyrazol-1-yl)methyl]benzamide

Systemtic Name: N-[(E)-(6-bromanyl-1,3-benzodioxol-5-yl)methylideneamino]-3-[(5-methyl-3-nitro-pyrazol-1-yl)methyl]benzamide Openeye Name: N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methyleneamino]-3-[(5-methyl-3-nitro-pyrazol-1-yl)methyl]benzamide CAS Name: N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-3-[(5-methyl-3-nitro-1-pyrazolyl)methyl]benzamide IUPAC Name: N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-3-[(5-methyl-3-nitropyrazol-1-yl)methyl]benzamide Traditional Name: N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methyleneamino]-3-[(5-methyl-3-nitro-pyrazol-1-yl)methyl]benzamide Formula: C20H16BrN5O5 MolecularWeight: 486.27554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC2=CC=CC(=C2)C(=O)NN=CC3=CC4=C(C=C3Br)OCO4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NN1CC2=CC=CC(=C2)C(=O)N/N=C/C3=CC4=C(C=C3Br)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C20H16BrN5O5/c1-12-5-19(26(28)29)24-25(12)10-13-3-2-4-14(6-13)20(27)23-22-9-15-7-17-18(8-16(15)21)31-11-30-17/h2-9H,10-11H2,1H3,(H,23,27)/b22-9+