[2-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-butoxyphenyl)carbonylamino]ethanoate

Systemtic Name: [2-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-butoxyphenyl)carbonylamino]ethanoate Openeye Name: [2-(4,5-dimethyl-2-nitro-anilino)-2-oxo-ethyl] 2-[(4-butoxybenzoyl)amino]acetate CAS Name: 2-[[(4-butoxyphenyl)-oxomethyl]amino]acetic acid [2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate Traditional Name: 2-[(4-butoxybenzoyl)amino]acetic acid [2-(4,5-dimethyl-2-nitro-anilino)-2-keto-ethyl] ester Formula: C23H27N3O7 MolecularWeight: 457.47638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O7/c1-4-5-10-32-18-8-6-17(7-9-18)23(29)24-13-22(28)33-14-21(27)25-19-11-15(2)16(3)12-20(19)26(30)31/h6-9,11-12H,4-5,10,13-14H2,1-3H3,(H,24,29)(H,25,27)