(E)-3-[4-(3-heptyl-1-oxidanidyl-1,2-diazirin-1-ium-3-yl)phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-(3-heptyl-1-oxidanidyl-1,2-diazirin-1-ium-3-yl)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-(3-heptyl-1-oxido-diazirin-1-ium-3-yl)phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-(3-heptyl-1-oxido-3-diazirin-1-iumyl)phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-(3-heptyl-1-oxidodiazirin-1-ium-3-yl)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-(3-heptyl-1-oxido-diazirin-1-ium-3-yl)phenyl]acrylic acid Formula: C17H22N2O3 MolecularWeight: 302.36818

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1(N=[N+]1[O-])C2=CC=C(C=C2)C=CC(=O)O

Isomeric SMILES

CCCCCCCC1(N=[N+]1[O-])C2=CC=C(C=C2)/C=C/C(=O)O

InChI

InChI=1S/C17H22N2O3/c1-2-3-4-5-6-13-17(18-19(17)22)15-10-7-14(8-11-15)9-12-16(20)21/h7-12H,2-6,13H2,1H3,(H,20,21)/b12-9+