2-[4-[2-(6-azanyl-3-bromanyl-4-methyl-5-nitro-pyridin-2-yl)carbonylpentyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[2-(6-azanyl-3-bromanyl-4-methyl-5-nitro-pyridin-2-yl)carbonylpentyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[2-(6-amino-3-bromo-4-methyl-5-nitro-pyridine-2-carbonyl)pentyl]phenyl]benzonitrile CAS Name: 2-[4-[2-[(6-amino-3-bromo-4-methyl-5-nitro-2-pyridinyl)-oxomethyl]pentyl]phenyl]benzonitrile IUPAC Name: 2-[4-[2-(6-amino-3-bromo-4-methyl-5-nitropyridine-2-carbonyl)pentyl]phenyl]benzonitrile Traditional Name: 2-[4-[2-(6-amino-3-bromo-4-methyl-5-nitro-picolinoyl)pentyl]phenyl]benzonitrile Formula: C25H23BrN4O3 MolecularWeight: 507.37912

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC1=CC=C(C=C1)C2=CC=CC=C2C#N)C(=O)C3=C(C(=C(C(=N3)N)[N+](=O)[O-])C)Br

Isomeric SMILES

CCCC(CC1=CC=C(C=C1)C2=CC=CC=C2C#N)C(=O)C3=C(C(=C(C(=N3)N)[N+](=O)[O-])C)Br

InChI

InChI=1S/C25H23BrN4O3/c1-3-6-18(24(31)22-21(26)15(2)23(30(32)33)25(28)29-22)13-16-9-11-17(12-10-16)20-8-5-4-7-19(20)14-27/h4-5,7-12,18H,3,6,13H2,1-2H3,(H2,28,29)