3-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-N-propyl-benzamide

Systemtic Name: 3-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-N-propyl-benzamide Openeye Name: 3-(5-nitro-1,3-dioxo-isoindolin-2-yl)-N-propyl-benzamide CAS Name: 3-(5-nitro-1,3-dioxo-2-isoindolyl)-N-propylbenzamide IUPAC Name: 3-(5-nitro-1,3-dioxoisoindol-2-yl)-N-propylbenzamide Traditional Name: 3-(1,3-diketo-5-nitro-isoindolin-2-yl)-N-propyl-benzamide Formula: C18H15N3O5 MolecularWeight: 353.3288

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC(=CC=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCNC(=O)C1=CC(=CC=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O5/c1-2-8-19-16(22)11-4-3-5-12(9-11)20-17(23)14-7-6-13(21(25)26)10-15(14)18(20)24/h3-7,9-10H,2,8H2,1H3,(H,19,22)