3-bromanyl-1-(6-methoxy-3-nitro-pyridin-2-yl)-3-phenyl-2H-pyrrole-5-carbonitrile; N-methylpentanamide

Systemtic Name: 3-bromanyl-1-(6-methoxy-3-nitro-pyridin-2-yl)-3-phenyl-2H-pyrrole-5-carbonitrile; N-methylpentanamide Openeye Name: 3-bromo-1-(6-methoxy-3-nitro-2-pyridyl)-3-phenyl-2H-pyrrole-5-carbonitrile; N-methylpentanamide CAS Name: 3-bromo-1-(6-methoxy-3-nitro-2-pyridinyl)-3-phenyl-2H-pyrrole-5-carbonitrile; N-methylpentanamide IUPAC Name: 3-bromo-1-(6-methoxy-3-nitropyridin-2-yl)-3-phenyl-2H-pyrrole-5-carbonitrile; N-methylpentanamide Traditional Name: 4-bromo-1-(6-methoxy-3-nitro-2-pyridyl)-4-phenyl-2-pyrroline-2-carbonitrile; N-methylvaleramide Formula: C23H26BrN5O4 MolecularWeight: 516.38764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC.COC1=NC(=C(C=C1)[N+](=O)[O-])N2CC(C=C2C#N)(C3=CC=CC=C3)Br

Isomeric SMILES

CCCCC(=O)NC.COC1=NC(=C(C=C1)[N+](=O)[O-])N2CC(C=C2C#N)(C3=CC=CC=C3)Br

InChI

InChI=1S/C17H13BrN4O3.C6H13NO/c1-25-15-8-7-14(22(23)24)16(20-15)21-11-17(18,9-13(21)10-19)12-5-3-2-4-6-12;1-3-4-5-6(8)7-2/h2-9H,11H2,1H3;3-5H2,1-2H3,(H,7,8)