[2-oxidanylidene-2-(2,4,4-trimethylpentan-2-ylamino)ethyl] 4-azanyl-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(2,4,4-trimethylpentan-2-ylamino)ethyl] 4-azanyl-3-nitro-benzoate Openeye Name: [2-oxo-2-(1,1,3,3-tetramethylbutylamino)ethyl] 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid [2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl] 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid [2-keto-2-(1,1,3,3-tetramethylbutylamino)ethyl] ester Formula: C17H25N3O5 MolecularWeight: 351.3975

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O5/c1-16(2,3)10-17(4,5)19-14(21)9-25-15(22)11-6-7-12(18)13(8-11)20(23)24/h6-8H,9-10,18H2,1-5H3,(H,19,21)