(4-aminocarbonyl-2-nitro-phenyl)methyl 3-[5-methyl-1,3-bis(oxidanylidene)isoindol-2-yl]propanoate

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl 3-[5-methyl-1,3-bis(oxidanylidene)isoindol-2-yl]propanoate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl 3-(5-methyl-1,3-dioxo-isoindolin-2-yl)propanoate CAS Name: 3-(5-methyl-1,3-dioxo-2-isoindolyl)propanoic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl 3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate Traditional Name: 3-(1,3-diketo-5-methyl-isoindolin-2-yl)propionic acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C20H17N3O7 MolecularWeight: 411.36488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCC(=O)OCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCC(=O)OCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O7/c1-11-2-5-14-15(8-11)20(27)22(19(14)26)7-6-17(24)30-10-13-4-3-12(18(21)25)9-16(13)23(28)29/h2-5,8-9H,6-7,10H2,1H3,(H2,21,25)