[2-oxidanylidene-2-(propylamino)ethyl] 2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoate

Systemtic Name: [2-oxidanylidene-2-(propylamino)ethyl] 2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoate Openeye Name: [2-oxo-2-(propylamino)ethyl] 2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetate CAS Name: 2-(4-nitro-1,3-dioxo-2-isoindolyl)acetic acid [2-oxo-2-(propylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propylamino)ethyl] 2-(4-nitro-1,3-dioxoisoindol-2-yl)acetate Traditional Name: 2-(1,3-diketo-4-nitro-isoindolin-2-yl)acetic acid [2-keto-2-(propylamino)ethyl] ester Formula: C15H15N3O7 MolecularWeight: 349.2955

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)COC(=O)CN1C(=O)C2=C(C1=O)C(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCNC(=O)COC(=O)CN1C(=O)C2=C(C1=O)C(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H15N3O7/c1-2-6-16-11(19)8-25-12(20)7-17-14(21)9-4-3-5-10(18(23)24)13(9)15(17)22/h3-5H,2,6-8H2,1H3,(H,16,19)