3-(butylamino)-2-(2-chloranyl-5-nitro-phenyl)carbonyl-3-oxidanyl-prop-2-enenitrile

Systemtic Name: 3-(butylamino)-2-(2-chloranyl-5-nitro-phenyl)carbonyl-3-oxidanyl-prop-2-enenitrile Openeye Name: 3-(butylamino)-2-(2-chloro-5-nitro-benzoyl)-3-hydroxy-prop-2-enenitrile CAS Name: 3-(butylamino)-2-[(2-chloro-5-nitrophenyl)-oxomethyl]-3-hydroxy-2-propenenitrile IUPAC Name: 3-(butylamino)-2-(2-chloro-5-nitrobenzoyl)-3-hydroxyprop-2-enenitrile Traditional Name: 3-(butylamino)-2-(2-chloro-5-nitro-benzoyl)-3-hydroxy-acrylonitrile Formula: C14H14ClN3O4 MolecularWeight: 323.73166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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/h4-5,7,17,20H,2-3,6H2,1H3