[2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-propan-2-yloxyphenyl)carbonylamino]ethanoate

Systemtic Name: [2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-propan-2-yloxyphenyl)carbonylamino]ethanoate Openeye Name: [2-(2-methyl-5-nitro-anilino)-2-oxo-ethyl] 2-[(4-isopropoxybenzoyl)amino]acetate CAS Name: 2-[[oxo-(4-propan-2-yloxyphenyl)methyl]amino]acetic acid [2-(2-methyl-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-5-nitroanilino)-2-oxoethyl] 2-[(4-propan-2-yloxybenzoyl)amino]acetate Traditional Name: 2-[(4-isopropoxybenzoyl)amino]acetic acid [2-keto-2-(2-methyl-5-nitro-anilino)ethyl] ester Formula: C21H23N3O7 MolecularWeight: 429.42322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)CNC(=O)C2=CC=C(C=C2)OC(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)CNC(=O)C2=CC=C(C=C2)OC(C)C

InChI

InChI=1S/C21H23N3O7/c1-13(2)31-17-8-5-15(6-9-17)21(27)22-11-20(26)30-12-19(25)23-18-10-16(24(28)29)7-4-14(18)3/h4-10,13H,11-12H2,1-3H3,(H,22,27)(H,23,25)