ethyl 4,5-dimethoxy-2-[3-[4-[(2-nitrophenyl)carbamoylamino]phenyl]propanoylamino]benzoate

Systemtic Name: ethyl 4,5-dimethoxy-2-[3-[4-[(2-nitrophenyl)carbamoylamino]phenyl]propanoylamino]benzoate Openeye Name: ethyl 4,5-dimethoxy-2-[3-[4-[(2-nitrophenyl)carbamoylamino]phenyl]propanoylamino]benzoate CAS Name: 4,5-dimethoxy-2-[[3-[4-[[(2-nitroanilino)-oxomethyl]amino]phenyl]-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4,5-dimethoxy-2-[3-[4-[(2-nitrophenyl)carbamoylamino]phenyl]propanoylamino]benzoate Traditional Name: 4,5-dimethoxy-2-[3-[4-[(2-nitrophenyl)carbamoylamino]phenyl]propanoylamino]benzoic acid ethyl ester Formula: C27H28N4O8 MolecularWeight: 536.53322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1NC(=O)CCC2=CC=C(C=C2)NC(=O)NC3=CC=CC=C3[N+](=O)[O-])OC)OC

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1NC(=O)CCC2=CC=C(C=C2)NC(=O)NC3=CC=CC=C3[N+](=O)[O-])OC)OC

InChI

InChI=1S/C27H28N4O8/c1-4-39-26(33)19-15-23(37-2)24(38-3)16-21(19)29-25(32)14-11-17-9-12-18(13-10-17)28-27(34)30-20-7-5-6-8-22(20)31(35)36/h5-10,12-13,15-16H,4,11,14H2,1-3H3,(H,29,32)(H2,28,30,34)