[2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl] 2-[(3-methyl-4-nitro-phenyl)carbonylamino]ethanoate

Systemtic Name: [2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl] 2-[(3-methyl-4-nitro-phenyl)carbonylamino]ethanoate Openeye Name: [2-(3,4-diethoxyanilino)-2-oxo-ethyl] 2-[(3-methyl-4-nitro-benzoyl)amino]acetate CAS Name: 2-[[(3-methyl-4-nitrophenyl)-oxomethyl]amino]acetic acid [2-(3,4-diethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-diethoxyanilino)-2-oxoethyl] 2-[(3-methyl-4-nitrobenzoyl)amino]acetate Traditional Name: 2-[(3-methyl-4-nitro-benzoyl)amino]acetic acid [2-(3,4-diethoxyanilino)-2-keto-ethyl] ester Formula: C22H25N3O8 MolecularWeight: 459.4492

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)COC(=O)CNC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)COC(=O)CNC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])C)OCC

InChI

InChI=1S/C22H25N3O8/c1-4-31-18-9-7-16(11-19(18)32-5-2)24-20(26)13-33-21(27)12-23-22(28)15-6-8-17(25(29)30)14(3)10-15/h6-11H,4-5,12-13H2,1-3H3,(H,23,28)(H,24,26)