(Z)-2-[nitro-[(Z)-6-oxidanylhexoxy-(phenylmethylidene)azaniumyl]-phenyl-methyl]-3-phenyl-prop-2-enoate

Systemtic Name: (Z)-2-[nitro-[(Z)-6-oxidanylhexoxy-(phenylmethylidene)azaniumyl]-phenyl-methyl]-3-phenyl-prop-2-enoate Openeye Name: (Z)-2-[[(Z)-benzylidene(6-hydroxyhexoxy)ammonio]-nitro-phenyl-methyl]-3-phenyl-prop-2-enoate CAS Name: (Z)-2-[[(Z)-6-hydroxyhexoxy-(phenylmethylene)ammonio]-nitro-phenylmethyl]-3-phenyl-2-propenoate IUPAC Name: (Z)-2-[[(Z)-benzylidene(6-hydroxyhexoxy)azaniumyl]-nitro-phenylmethyl]-3-phenylprop-2-enoate Traditional Name: (Z)-2-[[(Z)-benzal(6-hydroxyhexoxy)ammonio]-nitro-phenyl-methyl]-3-phenyl-acrylate Formula: C29H30N2O6 MolecularWeight: 502.5583

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=C(C(=O)[O-])C(C2=CC=CC=C2)([N+](=CC3=CC=CC=C3)OCCCCCCO)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)/C=C(\C(=O)[O-])/C(C2=CC=CC=C2)(/[N+](=C/C3=CC=CC=C3)/OCCCCCCO)[N+](=O)[O-]

InChI

InChI=1S/C29H30N2O6/c32-20-12-1-2-13-21-37-30(23-25-16-8-4-9-17-25)29(31(35)36,26-18-10-5-11-19-26)27(28(33)34)22-24-14-6-3-7-15-24/h3-11,14-19,22-23,32H,1-2,12-13,20-21H2/b27-22+,30-23-