N-[(3Z)-3-[1-cyano-2-(cyclohexylamino)-2-oxidanylidene-ethylidene]isoindol-1-yl]-4-nitro-benzamide

Systemtic Name: N-[(3Z)-3-[1-cyano-2-(cyclohexylamino)-2-oxidanylidene-ethylidene]isoindol-1-yl]-4-nitro-benzamide Openeye Name: N-[(3Z)-3-[1-cyano-2-(cyclohexylamino)-2-oxo-ethylidene]isoindol-1-yl]-4-nitro-benzamide CAS Name: N-[(3Z)-3-[1-cyano-2-(cyclohexylamino)-2-oxoethylidene]-1-isoindolyl]-4-nitrobenzamide IUPAC Name: N-[(3Z)-3-[1-cyano-2-(cyclohexylamino)-2-oxoethylidene]isoindol-1-yl]-4-nitrobenzamide Traditional Name: N-[(3Z)-3-[1-cyano-2-(cyclohexylamino)-2-keto-ethylidene]isoindol-1-yl]-4-nitro-benzamide Formula: C24H21N5O4 MolecularWeight: 443.45464

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C(=C2C3=CC=CC=C3C(=N2)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C#N

Isomeric SMILES

C1CCC(CC1)NC(=O)/C(=C\2/C3=CC=CC=C3C(=N2)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-])/C#N

InChI

InChI=1S/C24H21N5O4/c25-14-20(24(31)26-16-6-2-1-3-7-16)21-18-8-4-5-9-19(18)22(27-21)28-23(30)15-10-12-17(13-11-15)29(32)33/h4-5,8-13,16H,1-3,6-7H2,(H,26,31)(H,27,28,30)/b21-20-