(Z)-1-ethoxy-3-[5-[(3-methoxyphenyl)methyl]hept-6-enoyl-(phenylmethyl)amino]-1-oxidanyl-3-oxidanylidene-prop-1-ene-2-diazonium

Systemtic Name: (Z)-1-ethoxy-3-[5-[(3-methoxyphenyl)methyl]hept-6-enoyl-(phenylmethyl)amino]-1-oxidanyl-3-oxidanylidene-prop-1-ene-2-diazonium Openeye Name: (Z)-3-[benzyl-[5-[(3-methoxyphenyl)methyl]hept-6-enoyl]amino]-1-ethoxy-1-hydroxy-3-oxo-prop-1-ene-2-diazonium CAS Name: (Z)-1-ethoxy-1-hydroxy-3-[[5-[(3-methoxyphenyl)methyl]-1-oxohept-6-enyl]-(phenylmethyl)amino]-3-oxo-1-propene-2-diazonium IUPAC Name: (Z)-3-[benzyl-[5-[(3-methoxyphenyl)methyl]hept-6-enoyl]amino]-1-ethoxy-1-hydroxy-3-oxoprop-1-ene-2-diazonium Traditional Name: (Z)-3-[benzyl(5-m-anisylhept-6-enoyl)amino]-1-ethoxy-1-hydroxy-3-keto-prop-1-ene-2-diazonium Formula: C27H32N3O5+ MolecularWeight: 478.56008

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(C(=O)N(CC1=CC=CC=C1)C(=O)CCCC(CC2=CC(=CC=C2)OC)C=C)[N+]#N)O

Isomeric SMILES

CCO/C(=C(/C(=O)N(CC1=CC=CC=C1)C(=O)CCCC(CC2=CC(=CC=C2)OC)C=C)\[N+]#N)/O

InChI

InChI=1S/C27H31N3O5/c1-4-20(17-22-14-9-15-23(18-22)34-3)13-10-16-24(31)30(19-21-11-7-6-8-12-21)26(32)25(29-28)27(33)35-5-2/h4,6-9,11-12,14-15,18,20H,1,5,10,13,16-17,19H2,2-3H3/p+1