[2-oxidanylidene-2-[(phenylmethyl)-propan-2-yl-amino]ethyl] 4-(dimethylamino)-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)-propan-2-yl-amino]ethyl] 4-(dimethylamino)-3-nitro-benzoate Openeye Name: [2-[benzyl(isopropyl)amino]-2-oxo-ethyl] 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid [2-oxo-2-[(phenylmethyl)-propan-2-ylamino]ethyl] ester IUPAC Name: [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-nitro-benzoic acid [2-[benzyl(isopropyl)amino]-2-keto-ethyl] ester Formula: C21H25N3O5 MolecularWeight: 399.4403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC=CC=C1)C(=O)COC(=O)C2=CC(=C(C=C2)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)N(CC1=CC=CC=C1)C(=O)COC(=O)C2=CC(=C(C=C2)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O5/c1-15(2)23(13-16-8-6-5-7-9-16)20(25)14-29-21(26)17-10-11-18(22(3)4)19(12-17)24(27)28/h5-12,15H,13-14H2,1-4H3