[4-[2-[(4-nitrophenyl)carbonylamino]-3-oxidanylidene-3-phenylmethoxy-propyl]-2-(4-nitrophenyl)carbonyloxy-phenyl] 4-nitrobenzoate

Systemtic Name: [4-[2-[(4-nitrophenyl)carbonylamino]-3-oxidanylidene-3-phenylmethoxy-propyl]-2-(4-nitrophenyl)carbonyloxy-phenyl] 4-nitrobenzoate Openeye Name: [4-[3-benzyloxy-2-[(4-nitrobenzoyl)amino]-3-oxo-propyl]-2-(4-nitrobenzoyl)oxy-phenyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-[(4-nitrophenyl)-oxomethoxy]-4-[2-[[(4-nitrophenyl)-oxomethyl]amino]-3-oxo-3-phenylmethoxypropyl]phenyl] ester IUPAC Name: [4-[2-[(4-nitrobenzoyl)amino]-3-oxo-3-phenylmethoxypropyl]-2-(4-nitrobenzoyl)oxyphenyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [4-[3-benzoxy-3-keto-2-[(4-nitrobenzoyl)amino]propyl]-2-(4-nitrobenzoyl)oxy-phenyl] ester Formula: C37H26N4O13 MolecularWeight: 734.62134

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(CC2=CC(=C(C=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])OC(=O)C4=CC=C(C=C4)[N+](=O)[O-])NC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C(CC2=CC(=C(C=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])OC(=O)C4=CC=C(C=C4)[N+](=O)[O-])NC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C37H26N4O13/c42-34(25-7-13-28(14-8-25)39(46)47)38-31(37(45)52-22-23-4-2-1-3-5-23)20-24-6-19-32(53-35(43)26-9-15-29(16-10-26)40(48)49)33(21-24)54-36(44)27-11-17-30(18-12-27)41(50)51/h1-19,21,31H,20,22H2,(H,38,42)