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

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-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-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] 2-(4-nitro-1,3-dioxoisoindol-2-yl)acetate Traditional Name: 2-(1,3-diketo-4-nitro-isoindolin-2-yl)acetic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C17H19N3O7 MolecularWeight: 377.34866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O7/c1-3-10(4-2)18-13(21)9-27-14(22)8-19-16(23)11-6-5-7-12(20(25)26)15(11)17(19)24/h5-7,10H,3-4,8-9H2,1-2H3,(H,18,21)