[2-[di(propan-2-yl)amino]-2-oxidanylidene-ethyl] 4-azanyl-3-nitro-benzoate

Systemtic Name: [2-[di(propan-2-yl)amino]-2-oxidanylidene-ethyl] 4-azanyl-3-nitro-benzoate Openeye Name: [2-(diisopropylamino)-2-oxo-ethyl] 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid [2-[di(propan-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[di(propan-2-yl)amino]-2-oxoethyl] 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid [2-(diisopropylamino)-2-keto-ethyl] ester Formula: C15H21N3O5 MolecularWeight: 323.34434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O5/c1-9(2)17(10(3)4)14(19)8-23-15(20)11-5-6-12(16)13(7-11)18(21)22/h5-7,9-10H,8,16H2,1-4H3