[(2R)-1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 3-nitro-4-phenylazanyl-benzoate

Systemtic Name: [(2R)-1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 3-nitro-4-phenylazanyl-benzoate Openeye Name: [(1R)-2-(tert-butylamino)-1-methyl-2-oxo-ethyl] 4-anilino-3-nitro-benzoate CAS Name: 4-anilino-3-nitrobenzoic acid [(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] 4-anilino-3-nitrobenzoate Traditional Name: 4-anilino-3-nitro-benzoic acid [(1R)-2-(tert-butylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H23N3O5 MolecularWeight: 385.41372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)(C)C)OC(=O)C1=CC(=C(C=C1)NC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)NC(C)(C)C)OC(=O)C1=CC(=C(C=C1)NC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O5/c1-13(18(24)22-20(2,3)4)28-19(25)14-10-11-16(17(12-14)23(26)27)21-15-8-6-5-7-9-15/h5-13,21H,1-4H3,(H,22,24)/t13-/m1/s1