4-chloranyl-N-[2-(6-methoxy-3-oxidanylidene-2H-1,3-benzoxazol-3-ium-2-yl)ethyl]butanamide

Systemtic Name: 4-chloranyl-N-[2-(6-methoxy-3-oxidanylidene-2H-1,3-benzoxazol-3-ium-2-yl)ethyl]butanamide Openeye Name: 4-chloro-N-[2-(6-methoxy-3-oxo-2H-1,3-benzoxazol-3-ium-2-yl)ethyl]butanamide CAS Name: 4-chloro-N-[2-(6-methoxy-3-oxo-2H-1,3-benzoxazol-3-ium-2-yl)ethyl]butanamide IUPAC Name: 4-chloro-N-[2-(6-methoxy-3-oxo-2H-1,3-benzoxazol-3-ium-2-yl)ethyl]butanamide Traditional Name: 4-chloro-N-[2-(3-keto-6-methoxy-2H-1,3-benzoxazol-3-ium-2-yl)ethyl]butyramide Formula: C14H18ClN2O4+ MolecularWeight: 313.75672

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)[N+](=O)C(O2)CCNC(=O)CCCCl

Isomeric SMILES

COC1=CC2=C(C=C1)[N+](=O)C(O2)CCNC(=O)CCCCl

InChI

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