(E)-3-[4-[4-(acridin-9-ylamino)butylcarbamoyl]phenyl]-2-diazonio-3-oxidanylidene-1-phenyl-prop-1-en-1-olate

Systemtic Name: (E)-3-[4-[4-(acridin-9-ylamino)butylcarbamoyl]phenyl]-2-diazonio-3-oxidanylidene-1-phenyl-prop-1-en-1-olate Openeye Name: (E)-3-[4-[4-(acridin-9-ylamino)butylcarbamoyl]phenyl]-2-diazonio-3-oxo-1-phenyl-prop-1-en-1-olate CAS Name: (E)-3-[4-[[4-(9-acridinylamino)butylamino]-oxomethyl]phenyl]-2-diazonio-3-oxo-1-phenyl-1-propen-1-olate IUPAC Name: (E)-3-[4-[4-(acridin-9-ylamino)butylcarbamoyl]phenyl]-2-diazonio-3-oxo-1-phenylprop-1-en-1-olate Traditional Name: (E)-3-[4-[4-(acridin-9-ylamino)butylcarbamoyl]phenyl]-2-diazonio-3-keto-1-phenyl-prop-1-en-1-olate Formula: C33H27N5O3 MolecularWeight: 541.59918

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=C(C(=O)C2=CC=C(C=C2)C(=O)NCCCCNC3=C4C=CC=CC4=NC5=CC=CC=C53)[N+]#N)[O-]

Isomeric SMILES

C1=CC=C(C=C1)/C(=C(/C(=O)C2=CC=C(C=C2)C(=O)NCCCCNC3=C4C=CC=CC4=NC5=CC=CC=C53)\[N+]#N)/[O-]

InChI

InChI=1S/C33H27N5O3/c34-38-30(31(39)22-10-2-1-3-11-22)32(40)23-16-18-24(19-17-23)33(41)36-21-9-8-20-35-29-25-12-4-6-14-27(25)37-28-15-7-5-13-26(28)29/h1-7,10-19H,8-9,20-21H2,(H2-,35,36,37,39,40,41)