(Z)-3-[[(E)-hept-5-enoyl]-(phenylmethyl)amino]-1-methoxy-1-oxidanyl-3-oxidanylidene-prop-1-ene-2-diazonium

Systemtic Name: (Z)-3-[[(E)-hept-5-enoyl]-(phenylmethyl)amino]-1-methoxy-1-oxidanyl-3-oxidanylidene-prop-1-ene-2-diazonium Openeye Name: (Z)-3-[benzyl-[(E)-hept-5-enoyl]amino]-1-hydroxy-1-methoxy-3-oxo-prop-1-ene-2-diazonium CAS Name: (Z)-1-hydroxy-1-methoxy-3-oxo-3-[[(E)-1-oxohept-5-enyl]-(phenylmethyl)amino]-1-propene-2-diazonium IUPAC Name: (Z)-3-[benzyl-[(E)-hept-5-enoyl]amino]-1-hydroxy-1-methoxy-3-oxoprop-1-ene-2-diazonium Traditional Name: (Z)-3-[benzyl-[(E)-hept-5-enoyl]amino]-1-hydroxy-3-keto-1-methoxy-prop-1-ene-2-diazonium Formula: C18H22N3O4+ MolecularWeight: 344.38498

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCCCC(=O)N(CC1=CC=CC=C1)C(=O)C(=C(O)OC)[N+]#N

Isomeric SMILES

C/C=C/CCCC(=O)N(CC1=CC=CC=C1)C(=O)/C(=C(\O)/OC)/[N+]#N

InChI

InChI=1S/C18H21N3O4/c1-3-4-5-9-12-15(22)21(13-14-10-7-6-8-11-14)17(23)16(20-19)18(24)25-2/h3-4,6-8,10-11H,5,9,12-13H2,1-2H3/p+1/b4-3+