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

Systemtic Name: N-[(3Z)-3-[1-cyano-2-oxidanylidene-2-(propylamino)ethylidene]isoindol-1-yl]-3-nitro-benzamide Openeye Name: N-[(3Z)-3-[1-cyano-2-oxo-2-(propylamino)ethylidene]isoindol-1-yl]-3-nitro-benzamide CAS Name: N-[(3Z)-3-[1-cyano-2-oxo-2-(propylamino)ethylidene]-1-isoindolyl]-3-nitrobenzamide IUPAC Name: N-[(3Z)-3-[1-cyano-2-oxo-2-(propylamino)ethylidene]isoindol-1-yl]-3-nitrobenzamide Traditional Name: N-[(3Z)-3-[1-cyano-2-keto-2-(propylamino)ethylidene]isoindol-1-yl]-3-nitro-benzamide Formula: C21H17N5O4 MolecularWeight: 403.39078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N5O4/c1-2-10-23-21(28)17(12-22)18-15-8-3-4-9-16(15)19(24-18)25-20(27)13-6-5-7-14(11-13)26(29)30/h3-9,11H,2,10H2,1H3,(H,23,28)(H,24,25,27)/b18-17-