3-[[4-[[9,10-bis(oxidanylidene)anthracen-2-yl]diazenyl]phenyl]amino]propanenitrile

Systemtic Name: 3-[[4-[[9,10-bis(oxidanylidene)anthracen-2-yl]diazenyl]phenyl]amino]propanenitrile Openeye Name: 3-[4-[(9,10-dioxo-2-anthryl)azo]anilino]propanenitrile CAS Name: 3-[4-[(9,10-dioxo-2-anthracenyl)azo]anilino]propanenitrile IUPAC Name: 3-[4-[(9,10-dioxoanthracen-2-yl)diazenyl]anilino]propanenitrile Traditional Name: 3-[4-[(9,10-diketo-2-anthryl)azo]anilino]propionitrile Formula: C23H16N4O2 MolecularWeight: 380.39874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)N=NC4=CC=C(C=C4)NCCC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)N=NC4=CC=C(C=C4)NCCC#N

InChI

InChI=1S/C23H16N4O2/c24-12-3-13-25-15-6-8-16(9-7-15)26-27-17-10-11-20-21(14-17)23(29)19-5-2-1-4-18(19)22(20)28/h1-2,4-11,14,25H,3,13H2