ethyl 3-[2-[di(propan-2-yl)amino]ethylcarbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[2-[di(propan-2-yl)amino]ethylcarbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[2-(diisopropylamino)ethylcarbamoyl]-5-nitro-benzoate CAS Name: 3-[[2-[di(propan-2-yl)amino]ethylamino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[2-[di(propan-2-yl)amino]ethylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[2-(diisopropylamino)ethylcarbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C18H27N3O5 MolecularWeight: 365.42408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O5/c1-6-26-18(23)15-9-14(10-16(11-15)21(24)25)17(22)19-7-8-20(12(2)3)13(4)5/h9-13H,6-8H2,1-5H3,(H,19,22)