[2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoate

Systemtic Name: [2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoate Openeye Name: [2-(2-nitroanilino)-2-oxo-ethyl] 4-[(tert-butoxycarbonylamino)methyl]benzoate CAS Name: 4-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]benzoic acid [2-(2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-nitroanilino)-2-oxoethyl] 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoate Traditional Name: 4-[(tert-butoxycarbonylamino)methyl]benzoic acid [2-keto-2-(2-nitroanilino)ethyl] ester Formula: C21H23N3O7 MolecularWeight: 429.42322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC=CC=C2[N+](=O)[O-]

InChI

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