bis(2-cyanoethyl) [(E)-(3-methoxy-10-methyl-acridin-9-ylidene)-phenoxy-methyl] phosphate

Systemtic Name: bis(2-cyanoethyl) [(E)-(3-methoxy-10-methyl-acridin-9-ylidene)-phenoxy-methyl] phosphate Openeye Name: bis(2-cyanoethyl) [(E)-(3-methoxy-10-methyl-acridin-9-ylidene)-phenoxy-methyl] phosphate CAS Name: phosphoric acid bis(2-cyanoethyl) [(E)-(3-methoxy-10-methyl-9-acridinylidene)-phenoxymethyl] ester IUPAC Name: bis(2-cyanoethyl) [(E)-(3-methoxy-10-methylacridin-9-ylidene)-phenoxymethyl] phosphate Traditional Name: phosphoric acid bis(2-cyanoethyl) [(E)-(3-methoxy-10-methyl-acridin-9-ylidene)-phenoxy-methyl] ester Formula: C28H26N3O6P MolecularWeight: 531.496301

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C(OC3=CC=CC=C3)OP(=O)(OCCC#N)OCCC#N)C4=C1C=C(C=C4)OC

Isomeric SMILES

CN1C2=CC=CC=C2/C(=C(/OC3=CC=CC=C3)\OP(=O)(OCCC#N)OCCC#N)/C4=C1C=C(C=C4)OC

InChI

InChI=1S/C28H26N3O6P/c1-31-25-13-7-6-12-23(25)27(24-15-14-22(33-2)20-26(24)31)28(36-21-10-4-3-5-11-21)37-38(32,34-18-8-16-29)35-19-9-17-30/h3-7,10-15,20H,8-9,18-19H2,1-2H3/b28-27+