[2-[(2-methyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(3,4-diethoxyphenyl)carbonylamino]ethanoate

Systemtic Name: [2-[(2-methyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(3,4-diethoxyphenyl)carbonylamino]ethanoate Openeye Name: [2-(2-methyl-6-nitro-anilino)-2-oxo-ethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate CAS Name: 2-[[(3,4-diethoxyphenyl)-oxomethyl]amino]acetic acid [2-(2-methyl-6-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-6-nitroanilino)-2-oxoethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate Traditional Name: 2-[(3,4-diethoxybenzoyl)amino]acetic acid [2-keto-2-(2-methyl-6-nitro-anilino)ethyl] ester Formula: C22H25N3O8 MolecularWeight: 459.4492

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NCC(=O)OCC(=O)NC2=C(C=CC=C2[N+](=O)[O-])C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NCC(=O)OCC(=O)NC2=C(C=CC=C2[N+](=O)[O-])C)OCC

InChI

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