[2-[(4-tert-butylphenyl)carbonylamino]-2-oxidanylidene-ethyl] 2-methoxy-5-nitro-benzoate

Systemtic Name: [2-[(4-tert-butylphenyl)carbonylamino]-2-oxidanylidene-ethyl] 2-methoxy-5-nitro-benzoate Openeye Name: [2-[(4-tert-butylbenzoyl)amino]-2-oxo-ethyl] 2-methoxy-5-nitro-benzoate CAS Name: 2-methoxy-5-nitrobenzoic acid [2-[[(4-tert-butylphenyl)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-methoxy-5-nitrobenzoate Traditional Name: 2-methoxy-5-nitro-benzoic acid [2-[(4-tert-butylbenzoyl)amino]-2-keto-ethyl] ester Formula: C21H22N2O7 MolecularWeight: 414.40858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C21H22N2O7/c1-21(2,3)14-7-5-13(6-8-14)19(25)22-18(24)12-30-20(26)16-11-15(23(27)28)9-10-17(16)29-4/h5-11H,12H2,1-4H3,(H,22,24,25)