4-nitrooxybutyl (E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoate

Systemtic Name: 4-nitrooxybutyl (E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoate Openeye Name: 4-nitrooxybutyl (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid 4-nitrooxybutyl ester IUPAC Name: 4-nitrooxybutyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(4-hydroxy-3-methoxy-phenyl)acrylic acid 4-nitrooxybutyl ester Formula: C14H17NO7 MolecularWeight: 311.28728

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)OCCCCO[N+](=O)[O-])O

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)OCCCCO[N+](=O)[O-])O

InChI

InChI=1S/C14H17NO7/c1-20-13-10-11(4-6-12(13)16)5-7-14(17)21-8-2-3-9-22-15(18)19/h4-7,10,16H,2-3,8-9H2,1H3/b7-5+