[2-[(4-tert-butylphenyl)carbonylamino]-2-oxidanylidene-ethyl] 4-(methylamino)-3-nitro-benzoate

Systemtic Name: [2-[(4-tert-butylphenyl)carbonylamino]-2-oxidanylidene-ethyl] 4-(methylamino)-3-nitro-benzoate Openeye Name: [2-[(4-tert-butylbenzoyl)amino]-2-oxo-ethyl] 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid [2-[[(4-tert-butylphenyl)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid [2-[(4-tert-butylbenzoyl)amino]-2-keto-ethyl] ester Formula: C21H23N3O6 MolecularWeight: 413.42382

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O6/c1-21(2,3)15-8-5-13(6-9-15)19(26)23-18(25)12-30-20(27)14-7-10-16(22-4)17(11-14)24(28)29/h5-11,22H,12H2,1-4H3,(H,23,25,26)