(2R)-2-isoquinolin-3-yl-2-[1-nitro-9,10-bis(oxidanylidene)anthracen-2-yl]ethanenitrile

Systemtic Name: (2R)-2-isoquinolin-3-yl-2-[1-nitro-9,10-bis(oxidanylidene)anthracen-2-yl]ethanenitrile Openeye Name: (2R)-2-(3-isoquinolyl)-2-(1-nitro-9,10-dioxo-2-anthryl)acetonitrile CAS Name: (2R)-2-(3-isoquinolinyl)-2-(1-nitro-9,10-dioxo-2-anthracenyl)acetonitrile IUPAC Name: (2R)-2-isoquinolin-3-yl-2-(1-nitro-9,10-dioxoanthracen-2-yl)acetonitrile Traditional Name: (2R)-2-(9,10-diketo-1-nitro-2-anthryl)-2-(3-isoquinolyl)acetonitrile Formula: C25H13N3O4 MolecularWeight: 419.38842

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=NC(=CC2=C1)C(C#N)C3=C(C4=C(C=C3)C(=O)C5=CC=CC=C5C4=O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C=NC(=CC2=C1)[C@H](C#N)C3=C(C4=C(C=C3)C(=O)C5=CC=CC=C5C4=O)[N+](=O)[O-]

InChI

InChI=1S/C25H13N3O4/c26-12-20(21-11-14-5-1-2-6-15(14)13-27-21)16-9-10-19-22(23(16)28(31)32)25(30)18-8-4-3-7-17(18)24(19)29/h1-11,13,20H/t20-/m1/s1