3-[(4-bromanyl-3-nitro-pyrazol-1-yl)methyl]-N-(2-methyl-4-nitro-phenyl)benzamide

Systemtic Name: 3-[(4-bromanyl-3-nitro-pyrazol-1-yl)methyl]-N-(2-methyl-4-nitro-phenyl)benzamide Openeye Name: 3-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]-N-(2-methyl-4-nitro-phenyl)benzamide CAS Name: 3-[(4-bromo-3-nitro-1-pyrazolyl)methyl]-N-(2-methyl-4-nitrophenyl)benzamide IUPAC Name: 3-[(4-bromo-3-nitropyrazol-1-yl)methyl]-N-(2-methyl-4-nitrophenyl)benzamide Traditional Name: 3-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]-N-(2-methyl-4-nitro-phenyl)benzamide Formula: C18H14BrN5O5 MolecularWeight: 460.23826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C2=CC(=CC=C2)CN3C=C(C(=N3)[N+](=O)[O-])Br

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C2=CC(=CC=C2)CN3C=C(C(=N3)[N+](=O)[O-])Br

InChI

InChI=1S/C18H14BrN5O5/c1-11-7-14(23(26)27)5-6-16(11)20-18(25)13-4-2-3-12(8-13)9-22-10-15(19)17(21-22)24(28)29/h2-8,10H,9H2,1H3,(H,20,25)