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

Systemtic Name: [2-(tert-butylamino)-2-oxidanylidene-ethyl] 2-[(2-chlorophenyl)methylamino]-5-nitro-benzoate Openeye Name: [2-(tert-butylamino)-2-oxo-ethyl] 2-[(2-chlorophenyl)methylamino]-5-nitro-benzoate CAS Name: 2-[(2-chlorophenyl)methylamino]-5-nitrobenzoic acid [2-(tert-butylamino)-2-oxoethyl] ester IUPAC Name: [2-(tert-butylamino)-2-oxoethyl] 2-[(2-chlorophenyl)methylamino]-5-nitrobenzoate Traditional Name: 2-[(2-chlorobenzyl)amino]-5-nitro-benzoic acid [2-(tert-butylamino)-2-keto-ethyl] ester Formula: C20H22ClN3O5 MolecularWeight: 419.85878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3O5/c1-20(2,3)23-18(25)12-29-19(26)15-10-14(24(27)28)8-9-17(15)22-11-13-6-4-5-7-16(13)21/h4-10,22H,11-12H2,1-3H3,(H,23,25)