N-[(3Z)-3-[1-cyano-2-(hexylamino)-2-oxidanylidene-ethylidene]isoindol-1-yl]-3-nitro-benzamide

Systemtic Name: N-[(3Z)-3-[1-cyano-2-(hexylamino)-2-oxidanylidene-ethylidene]isoindol-1-yl]-3-nitro-benzamide Openeye Name: N-[(3Z)-3-[1-cyano-2-(hexylamino)-2-oxo-ethylidene]isoindol-1-yl]-3-nitro-benzamide CAS Name: N-[(3Z)-3-[1-cyano-2-(hexylamino)-2-oxoethylidene]-1-isoindolyl]-3-nitrobenzamide IUPAC Name: N-[(3Z)-3-[1-cyano-2-(hexylamino)-2-oxoethylidene]isoindol-1-yl]-3-nitrobenzamide Traditional Name: N-[(3Z)-3-[1-cyano-2-(hexylamino)-2-keto-ethylidene]isoindol-1-yl]-3-nitro-benzamide Formula: C24H23N5O4 MolecularWeight: 445.47052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)C(=C1C2=CC=CC=C2C(=N1)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C#N

Isomeric SMILES

CCCCCCNC(=O)/C(=C\1/C2=CC=CC=C2C(=N1)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])/C#N

InChI

InChI=1S/C24H23N5O4/c1-2-3-4-7-13-26-24(31)20(15-25)21-18-11-5-6-12-19(18)22(27-21)28-23(30)16-9-8-10-17(14-16)29(32)33/h5-6,8-12,14H,2-4,7,13H2,1H3,(H,26,31)(H,27,28,30)/b21-20-