(Z)-1-ethoxy-3-[3-methylhept-6-enoyl-(phenylmethyl)amino]-1-oxidanyl-3-oxidanylidene-prop-1-ene-2-diazonium

Systemtic Name: (Z)-1-ethoxy-3-[3-methylhept-6-enoyl-(phenylmethyl)amino]-1-oxidanyl-3-oxidanylidene-prop-1-ene-2-diazonium Openeye Name: (Z)-3-[benzyl(3-methylhept-6-enoyl)amino]-1-ethoxy-1-hydroxy-3-oxo-prop-1-ene-2-diazonium CAS Name: (Z)-1-ethoxy-1-hydroxy-3-[(3-methyl-1-oxohept-6-enyl)-(phenylmethyl)amino]-3-oxo-1-propene-2-diazonium IUPAC Name: (Z)-3-[benzyl(3-methylhept-6-enoyl)amino]-1-ethoxy-1-hydroxy-3-oxoprop-1-ene-2-diazonium Traditional Name: (Z)-3-[benzyl(3-methylhept-6-enoyl)amino]-1-ethoxy-1-hydroxy-3-keto-prop-1-ene-2-diazonium Formula: C20H26N3O4+ MolecularWeight: 372.43814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(C(=O)N(CC1=CC=CC=C1)C(=O)CC(C)CCC=C)[N+]#N)O

Isomeric SMILES

CCO/C(=C(/C(=O)N(CC1=CC=CC=C1)C(=O)CC(C)CCC=C)\[N+]#N)/O

InChI

InChI=1S/C20H25N3O4/c1-4-6-10-15(3)13-17(24)23(14-16-11-8-7-9-12-16)19(25)18(22-21)20(26)27-5-2/h4,7-9,11-12,15H,1,5-6,10,13-14H2,2-3H3/p+1