N-[[4-(4-chloranyl-2-cyano-pyrrol-1-yl)phenyl]methyl]-N-(4-methyl-3-nitro-pyridin-2-yl)butanamide

Systemtic Name: N-[[4-(4-chloranyl-2-cyano-pyrrol-1-yl)phenyl]methyl]-N-(4-methyl-3-nitro-pyridin-2-yl)butanamide Openeye Name: N-[[4-(4-chloro-2-cyano-pyrrol-1-yl)phenyl]methyl]-N-(4-methyl-3-nitro-2-pyridyl)butanamide CAS Name: N-[[4-(4-chloro-2-cyano-1-pyrrolyl)phenyl]methyl]-N-(4-methyl-3-nitro-2-pyridinyl)butanamide IUPAC Name: N-[[4-(4-chloro-2-cyanopyrrol-1-yl)phenyl]methyl]-N-(4-methyl-3-nitropyridin-2-yl)butanamide Traditional Name: N-[4-(4-chloro-2-cyano-pyrrol-1-yl)benzyl]-N-(4-methyl-3-nitro-2-pyridyl)butyramide Formula: C22H20ClN5O3 MolecularWeight: 437.8789

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N(CC1=CC=C(C=C1)N2C=C(C=C2C#N)Cl)C3=NC=CC(=C3[N+](=O)[O-])C

Isomeric SMILES

CCCC(=O)N(CC1=CC=C(C=C1)N2C=C(C=C2C#N)Cl)C3=NC=CC(=C3[N+](=O)[O-])C

InChI

InChI=1S/C22H20ClN5O3/c1-3-4-20(29)27(22-21(28(30)31)15(2)9-10-25-22)13-16-5-7-18(8-6-16)26-14-17(23)11-19(26)12-24/h5-11,14H,3-4,13H2,1-2H3