N-(3-cyanophenyl)-3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanamide

Systemtic Name: N-(3-cyanophenyl)-3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanamide Openeye Name: N-(3-cyanophenyl)-3-(4-nitro-1,3-dioxo-isoindolin-2-yl)propanamide CAS Name: N-(3-cyanophenyl)-3-(4-nitro-1,3-dioxo-2-isoindolyl)propanamide IUPAC Name: N-(3-cyanophenyl)-3-(4-nitro-1,3-dioxoisoindol-2-yl)propanamide Traditional Name: N-(3-cyanophenyl)-3-(1,3-diketo-4-nitro-isoindolin-2-yl)propionamide Formula: C18H12N4O5 MolecularWeight: 364.31168

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C18H12N4O5/c19-10-11-3-1-4-12(9-11)20-15(23)7-8-21-17(24)13-5-2-6-14(22(26)27)16(13)18(21)25/h1-6,9H,7-8H2,(H,20,23)