[1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-[(4-propan-2-yloxyphenyl)carbonylamino]ethanoate

Systemtic Name: [1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-[(4-propan-2-yloxyphenyl)carbonylamino]ethanoate Openeye Name: [2-(2-methoxy-5-nitro-anilino)-1-methyl-2-oxo-ethyl] 2-[(4-isopropoxybenzoyl)amino]acetate CAS Name: 2-[[oxo-(4-propan-2-yloxyphenyl)methyl]amino]acetic acid [1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] 2-[(4-propan-2-yloxybenzoyl)amino]acetate Traditional Name: 2-[(4-isopropoxybenzoyl)amino]acetic acid [2-keto-2-(2-methoxy-5-nitro-anilino)-1-methyl-ethyl] ester Formula: C22H25N3O8 MolecularWeight: 459.4492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(=O)NCC(=O)OC(C)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C(=O)NCC(=O)OC(C)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C22H25N3O8/c1-13(2)32-17-8-5-15(6-9-17)22(28)23-12-20(26)33-14(3)21(27)24-18-11-16(25(29)30)7-10-19(18)31-4/h5-11,13-14H,12H2,1-4H3,(H,23,28)(H,24,27)