N-butyl-3-chloranyl-4-nitro-2-oxidanyl-5-[(E)-prop-1-enyl]benzamide

Systemtic Name: N-butyl-3-chloranyl-4-nitro-2-oxidanyl-5-[(E)-prop-1-enyl]benzamide Openeye Name: N-butyl-3-chloro-2-hydroxy-4-nitro-5-[(E)-prop-1-enyl]benzamide CAS Name: N-butyl-3-chloro-2-hydroxy-4-nitro-5-[(E)-prop-1-enyl]benzamide IUPAC Name: N-butyl-3-chloro-2-hydroxy-4-nitro-5-[(E)-prop-1-enyl]benzamide Traditional Name: N-butyl-3-chloro-2-hydroxy-4-nitro-5-[(E)-prop-1-enyl]benzamide Formula: C14H17ClN2O4 MolecularWeight: 312.74878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17ClN2O4/c1-3-5-7-16-14(19)10-8-9(6-4-2)12(17(20)21)11(15)13(10)18/h4,6,8,18H,3,5,7H2,1-2H3,(H,16,19)/b6-4+