[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxidanylidene-ethyl] 4-(methylamino)-3-nitro-benzoate

Systemtic Name: [2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxidanylidene-ethyl] 4-(methylamino)-3-nitro-benzoate Openeye Name: [2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxo-ethyl] 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid [2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl] 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid [2-[1-(3,4-dimethylphenyl)ethylamino]-2-keto-ethyl] ester Formula: C20H23N3O5 MolecularWeight: 385.41372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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