[2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] 2-[(2-chlorophenyl)methylamino]-5-nitro-benzoate

Systemtic Name: [2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] 2-[(2-chlorophenyl)methylamino]-5-nitro-benzoate Openeye Name: [2-(isobutylcarbamoylamino)-2-oxo-ethyl] 2-[(2-chlorophenyl)methylamino]-5-nitro-benzoate CAS Name: 2-[(2-chlorophenyl)methylamino]-5-nitrobenzoic acid [2-[[(2-methylpropylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-[(2-chlorophenyl)methylamino]-5-nitrobenzoate Traditional Name: 2-[(2-chlorobenzyl)amino]-5-nitro-benzoic acid [2-(isobutylcarbamoylamino)-2-keto-ethyl] ester Formula: C21H23ClN4O6 MolecularWeight: 462.88352

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)NC(=O)COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NCC2=CC=CC=C2Cl

Isomeric SMILES

CC(C)CNC(=O)NC(=O)COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NCC2=CC=CC=C2Cl

InChI

InChI=1S/C21H23ClN4O6/c1-13(2)10-24-21(29)25-19(27)12-32-20(28)16-9-15(26(30)31)7-8-18(16)23-11-14-5-3-4-6-17(14)22/h3-9,13,23H,10-12H2,1-2H3,(H2,24,25,27,29)