[2-[(4-methoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-butan-2-yl-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: [2-[(4-methoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-butan-2-yl-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: [2-(4-methoxy-2-nitro-anilino)-2-oxo-ethyl] 1,3-dioxo-2-sec-butyl-isoindoline-5-carboxylate CAS Name: 2-butan-2-yl-1,3-dioxo-5-isoindolecarboxylic acid [2-(4-methoxy-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 2-butan-2-yl-1,3-dioxoisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-sec-butyl-isoindoline-5-carboxylic acid [2-keto-2-(4-methoxy-2-nitro-anilino)ethyl] ester Formula: C22H21N3O8 MolecularWeight: 455.41744

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCC(=O)NC3=C(C=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CCC(C)N1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCC(=O)NC3=C(C=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H21N3O8/c1-4-12(2)24-20(27)15-7-5-13(9-16(15)21(24)28)22(29)33-11-19(26)23-17-8-6-14(32-3)10-18(17)25(30)31/h5-10,12H,4,11H2,1-3H3,(H,23,26)