[2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate

Systemtic Name: [2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate Openeye Name: [2-(4-methyl-3-nitro-anilino)-2-oxo-ethyl] 3-(tert-butoxycarbonylamino)benzoate CAS Name: 3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]benzoic acid [2-(4-methyl-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitroanilino)-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate Traditional Name: 3-(tert-butoxycarbonylamino)benzoic acid [2-keto-2-(4-methyl-3-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)NC(=O)COC(=O)C2=CC(=CC=C2)NC(=O)OC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O7/c1-13-8-9-16(11-17(13)24(28)29)22-18(25)12-30-19(26)14-6-5-7-15(10-14)23-20(27)31-21(2,3)4/h5-11H,12H2,1-4H3,(H,22,25)(H,23,27)