ethyl 5-[(1-ethoxy-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-4-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-5-oxidanylidene-pentanoate

Systemtic Name: ethyl 5-[(1-ethoxy-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-4-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-5-oxidanylidene-pentanoate Openeye Name: ethyl 5-[(1-benzyl-2-ethoxy-2-oxo-ethyl)amino]-4-(5-nitro-1,3-dioxo-isoindolin-2-yl)-5-oxo-pentanoate CAS Name: 5-[(1-ethoxy-1-oxo-3-phenylpropan-2-yl)amino]-4-(5-nitro-1,3-dioxo-2-isoindolyl)-5-oxopentanoic acid ethyl ester IUPAC Name: ethyl 5-[(1-ethoxy-1-oxo-3-phenylpropan-2-yl)amino]-4-(5-nitro-1,3-dioxoisoindol-2-yl)-5-oxopentanoate Traditional Name: 5-[(1-benzyl-2-ethoxy-2-keto-ethyl)amino]-4-(1,3-diketo-5-nitro-isoindolin-2-yl)-5-keto-valeric acid ethyl ester Formula: C26H27N3O9 MolecularWeight: 525.50728

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C(=O)NC(CC1=CC=CC=C1)C(=O)OCC)N2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CCC(C(=O)NC(CC1=CC=CC=C1)C(=O)OCC)N2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C26H27N3O9/c1-3-37-22(30)13-12-21(28-24(32)18-11-10-17(29(35)36)15-19(18)25(28)33)23(31)27-20(26(34)38-4-2)14-16-8-6-5-7-9-16/h5-11,15,20-21H,3-4,12-14H2,1-2H3,(H,27,31)