N-(1,3-benzodioxol-5-ylmethyl)-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-nitro-1,3-dioxo-isoindolin-2-yl)propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-nitro-1,3-dioxo-2-isoindolyl)propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-nitro-1,3-dioxoisoindol-2-yl)propanamide Traditional Name: 2-(1,3-diketo-4-nitro-isoindolin-2-yl)-N-piperonyl-propionamide Formula: C19H15N3O7 MolecularWeight: 397.3383

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H15N3O7/c1-10(17(23)20-8-11-5-6-14-15(7-11)29-9-28-14)21-18(24)12-3-2-4-13(22(26)27)16(12)19(21)25/h2-7,10H,8-9H2,1H3,(H,20,23)