[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 2-azanyl-5-nitro-benzoate

Systemtic Name: [2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 2-azanyl-5-nitro-benzoate Openeye Name: [2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxo-ethyl] 2-amino-5-nitro-benzoate CAS Name: 2-amino-5-nitrobenzoic acid [2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] 2-amino-5-nitrobenzoate Traditional Name: 2-amino-5-nitro-benzoic acid [2-[2-(3,4-diethoxyphenyl)ethylamino]-2-keto-ethyl] ester Formula: C21H25N3O7 MolecularWeight: 431.4391

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCNC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCNC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N)OCC

InChI

InChI=1S/C21H25N3O7/c1-3-29-18-8-5-14(11-19(18)30-4-2)9-10-23-20(25)13-31-21(26)16-12-15(24(27)28)6-7-17(16)22/h5-8,11-12H,3-4,9-10,13,22H2,1-2H3,(H,23,25)