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

Systemtic Name: ethyl 4,5-dimethoxy-2-[3-[4-[(3-nitrophenyl)carbamoylamino]phenyl]propanoylamino]benzoate Openeye Name: ethyl 4,5-dimethoxy-2-[3-[4-[(3-nitrophenyl)carbamoylamino]phenyl]propanoylamino]benzoate CAS Name: 4,5-dimethoxy-2-[[3-[4-[[(3-nitroanilino)-oxomethyl]amino]phenyl]-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4,5-dimethoxy-2-[3-[4-[(3-nitrophenyl)carbamoylamino]phenyl]propanoylamino]benzoate Traditional Name: 4,5-dimethoxy-2-[3-[4-[(3-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)21-15-23(37-2)24(38-3)16-22(21)30-25(32)13-10-17-8-11-18(12-9-17)28-27(34)29-19-6-5-7-20(14-19)31(35)36/h5-9,11-12,14-16H,4,10,13H2,1-3H3,(H,30,32)(H2,28,29,34)