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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1NC(=O)CCC2=CC=C(C=C2)NC(=O)NC3=CC=C(C=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=C(C=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)14-7-17-5-8-18(9-6-17)28-27(34)29-19-10-12-20(13-11-19)31(35)36/h5-6,8-13,15-16H,4,7,14H2,1-3H3,(H,30,32)(H2,28,29,34)