N-(4-bromanyl-3-methyl-phenyl)-1-methyl-4-nitro-pyrrole-2-carboxamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-1-methyl-4-nitro-pyrrole-2-carboxamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-1-methyl-4-nitro-pyrrole-2-carboxamide CAS Name: N-(4-bromo-3-methylphenyl)-1-methyl-4-nitro-2-pyrrolecarboxamide IUPAC Name: N-(4-bromo-3-methylphenyl)-1-methyl-4-nitropyrrole-2-carboxamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-1-methyl-4-nitro-pyrrole-2-carboxamide Formula: C13H12BrN3O3 MolecularWeight: 338.15668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=CC(=CN2C)[N+](=O)[O-])Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=CC(=CN2C)[N+](=O)[O-])Br

InChI

InChI=1S/C13H12BrN3O3/c1-8-5-9(3-4-11(8)14)15-13(18)12-6-10(17(19)20)7-16(12)2/h3-7H,1-2H3,(H,15,18)