(Z)-2-diazonio-3-[[(E)-hept-5-enoyl]-(phenylmethyl)amino]-1-methoxy-3-oxidanylidene-prop-1-en-1-olate

Systemtic Name: (Z)-2-diazonio-3-[[(E)-hept-5-enoyl]-(phenylmethyl)amino]-1-methoxy-3-oxidanylidene-prop-1-en-1-olate Openeye Name: (Z)-3-[benzyl-[(E)-hept-5-enoyl]amino]-2-diazonio-1-methoxy-3-oxo-prop-1-en-1-olate CAS Name: (Z)-2-diazonio-1-methoxy-3-oxo-3-[[(E)-1-oxohept-5-enyl]-(phenylmethyl)amino]-1-propen-1-olate IUPAC Name: (Z)-3-[benzyl-[(E)-hept-5-enoyl]amino]-2-diazonio-1-methoxy-3-oxoprop-1-en-1-olate Traditional Name: (Z)-3-[benzyl-[(E)-hept-5-enoyl]amino]-2-diazonio-3-keto-1-methoxy-prop-1-en-1-olate Formula: C18H21N3O4 MolecularWeight: 343.37704

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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/b4-3+