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

Systemtic Name: [(2R)-1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-[(4-butoxyphenyl)carbonylamino]ethanoate Openeye Name: [(1R)-2-(2-methoxy-5-nitro-anilino)-1-methyl-2-oxo-ethyl] 2-[(4-butoxybenzoyl)amino]acetate CAS Name: 2-[[(4-butoxyphenyl)-oxomethyl]amino]acetic acid [(2R)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] 2-[(4-butoxybenzoyl)amino]acetate Traditional Name: 2-[(4-butoxybenzoyl)amino]acetic acid [(1R)-2-keto-2-(2-methoxy-5-nitro-anilino)-1-methyl-ethyl] ester Formula: C23H27N3O8 MolecularWeight: 473.47578

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)OC(C)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)O[C@H](C)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C23H27N3O8/c1-4-5-12-33-18-9-6-16(7-10-18)23(29)24-14-21(27)34-15(2)22(28)25-19-13-17(26(30)31)8-11-20(19)32-3/h6-11,13,15H,4-5,12,14H2,1-3H3,(H,24,29)(H,25,28)/t15-/m1/s1