N-butyl-3-(2-chloranyl-5-nitro-phenyl)-2-cyano-3-oxidanylidene-propanamide

Systemtic Name: N-butyl-3-(2-chloranyl-5-nitro-phenyl)-2-cyano-3-oxidanylidene-propanamide Openeye Name: N-butyl-3-(2-chloro-5-nitro-phenyl)-2-cyano-3-oxo-propanamide CAS Name: N-butyl-3-(2-chloro-5-nitrophenyl)-2-cyano-3-oxopropanamide IUPAC Name: N-butyl-3-(2-chloro-5-nitrophenyl)-2-cyano-3-oxopropanamide Traditional Name: N-butyl-3-(2-chloro-5-nitro-phenyl)-2-cyano-3-keto-propionamide Formula: C14H14ClN3O4 MolecularWeight: 323.73166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(C#N)C(=O)C1=C(C=CC(=C1)[N+](=O)[O-])Cl

Isomeric SMILES

CCCCNC(=O)C(C#N)C(=O)C1=C(C=CC(=C1)[N+](=O)[O-])Cl

InChI

InChI=1S/C14H14ClN3O4/c1-2-3-6-17-14(20)11(8-16)13(19)10-7-9(18(21)22)4-5-12(10)15/h4-5,7,11H,2-3,6H2,1H3,(H,17,20)