[2-[tert-butyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 3-methyl-4-nitro-benzoate

Systemtic Name: [2-[tert-butyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 3-methyl-4-nitro-benzoate Openeye Name: [2-[benzyl(tert-butyl)amino]-2-oxo-ethyl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [2-[tert-butyl-(phenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [2-[benzyl(tert-butyl)amino]-2-keto-ethyl] ester Formula: C21H24N2O5 MolecularWeight: 384.42566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OCC(=O)N(CC2=CC=CC=C2)C(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OCC(=O)N(CC2=CC=CC=C2)C(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H24N2O5/c1-15-12-17(10-11-18(15)23(26)27)20(25)28-14-19(24)22(21(2,3)4)13-16-8-6-5-7-9-16/h5-12H,13-14H2,1-4H3