3-[[1,4-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-2-yl]amino]propanenitrile

Systemtic Name: 3-[[1,4-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-2-yl]amino]propanenitrile Openeye Name: 3-[(1,4-dihydroxy-9,10-dioxo-2-anthryl)amino]propanenitrile CAS Name: 3-[(1,4-dihydroxy-9,10-dioxo-2-anthracenyl)amino]propanenitrile IUPAC Name: 3-[(1,4-dihydroxy-9,10-dioxoanthracen-2-yl)amino]propanenitrile Traditional Name: 3-[(1,4-dihydroxy-9,10-diketo-2-anthryl)amino]propionitrile Formula: C17H12N2O4 MolecularWeight: 308.28818

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C=C(C(=C3C2=O)O)NCCC#N)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C=C(C(=C3C2=O)O)NCCC#N)O

InChI

InChI=1S/C17H12N2O4/c18-6-3-7-19-11-8-12(20)13-14(17(11)23)16(22)10-5-2-1-4-9(10)15(13)21/h1-2,4-5,8,19-20,23H,3,7H2