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

Systemtic Name: 3-bromanyl-1-(6-chloranyl-3-nitro-pyridin-2-yl)-3-phenyl-2H-pyrrole-5-carbonitrile; N-methylpentanamide Openeye Name: 3-bromo-1-(6-chloro-3-nitro-2-pyridyl)-3-phenyl-2H-pyrrole-5-carbonitrile; N-methylpentanamide CAS Name: 3-bromo-1-(6-chloro-3-nitro-2-pyridinyl)-3-phenyl-2H-pyrrole-5-carbonitrile; N-methylpentanamide IUPAC Name: 3-bromo-1-(6-chloro-3-nitropyridin-2-yl)-3-phenyl-2H-pyrrole-5-carbonitrile; N-methylpentanamide Traditional Name: 4-bromo-1-(6-chloro-3-nitro-2-pyridyl)-4-phenyl-2-pyrroline-2-carbonitrile; N-methylvaleramide Formula: C22H23BrClN5O3 MolecularWeight: 520.80672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC.C1C(C=C(N1C2=C(C=CC(=N2)Cl)[N+](=O)[O-])C#N)(C3=CC=CC=C3)Br

Isomeric SMILES

CCCCC(=O)NC.C1C(C=C(N1C2=C(C=CC(=N2)Cl)[N+](=O)[O-])C#N)(C3=CC=CC=C3)Br

InChI

InChI=1S/C16H10BrClN4O2.C6H13NO/c17-16(11-4-2-1-3-5-11)8-12(9-19)21(10-16)15-13(22(23)24)6-7-14(18)20-15;1-3-4-5-6(8)7-2/h1-8H,10H2;3-5H2,1-2H3,(H,7,8)