(3,3-dimethyl-2-oxidanylidene-butyl) 2-[(2-chlorophenyl)methylamino]-5-nitro-benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[(2-chlorophenyl)methylamino]-5-nitro-benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[(2-chlorophenyl)methylamino]-5-nitro-benzoate CAS Name: 2-[(2-chlorophenyl)methylamino]-5-nitrobenzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[(2-chlorophenyl)methylamino]-5-nitrobenzoate Traditional Name: 2-[(2-chlorobenzyl)amino]-5-nitro-benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C20H21ClN2O5 MolecularWeight: 404.84414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN2O5/c1-20(2,3)18(24)12-28-19(25)15-10-14(23(26)27)8-9-17(15)22-11-13-6-4-5-7-16(13)21/h4-10,22H,11-12H2,1-3H3