[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxidanylidene-ethyl] 2-(dimethylamino)-5-nitro-benzoate

Systemtic Name: [2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxidanylidene-ethyl] 2-(dimethylamino)-5-nitro-benzoate Openeye Name: [2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxo-ethyl] 2-(dimethylamino)-5-nitro-benzoate CAS Name: 2-(dimethylamino)-5-nitrobenzoic acid [2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl] 2-(dimethylamino)-5-nitrobenzoate Traditional Name: 2-(dimethylamino)-5-nitro-benzoic acid [2-keto-2-[methyl-[(1R)-1-phenylethyl]amino]ethyl] ester Formula: C20H23N3O5 MolecularWeight: 385.41372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O5/c1-14(15-8-6-5-7-9-15)22(4)19(24)13-28-20(25)17-12-16(23(26)27)10-11-18(17)21(2)3/h5-12,14H,13H2,1-4H3/t14-/m1/s1