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

Systemtic Name: [1-(cyclopentylamino)-1-oxidanylidene-propan-2-yl] 2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoate Openeye Name: [2-(cyclopentylamino)-1-methyl-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 [1-(cyclopentylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(4-nitro-1,3-dioxoisoindol-2-yl)acetate Traditional Name: 2-(1,3-diketo-4-nitro-isoindolin-2-yl)acetic acid [2-(cyclopentylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H19N3O7 MolecularWeight: 389.35936

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCC1)OC(=O)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1CCCC1)OC(=O)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O7/c1-10(16(23)19-11-5-2-3-6-11)28-14(22)9-20-17(24)12-7-4-8-13(21(26)27)15(12)18(20)25/h4,7-8,10-11H,2-3,5-6,9H2,1H3,(H,19,23)