5-butyl-2-[[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]methylamino]benzenecarbonitrile

Systemtic Name: 5-butyl-2-[[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]methylamino]benzenecarbonitrile Openeye Name: 5-butyl-2-[(5-nitro-1,3-dioxo-isoindolin-2-yl)methylamino]benzonitrile CAS Name: 5-butyl-2-[(5-nitro-1,3-dioxo-2-isoindolyl)methylamino]benzonitrile IUPAC Name: 5-butyl-2-[(5-nitro-1,3-dioxoisoindol-2-yl)methylamino]benzonitrile Traditional Name: 5-butyl-2-[(1,3-diketo-5-nitro-isoindolin-2-yl)methylamino]benzonitrile Formula: C20H18N4O4 MolecularWeight: 378.38132

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)NCN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

CCCCC1=CC(=C(C=C1)NCN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C20H18N4O4/c1-2-3-4-13-5-8-18(14(9-13)11-21)22-12-23-19(25)16-7-6-15(24(27)28)10-17(16)20(23)26/h5-10,22H,2-4,12H2,1H3