4-(2-nitro-6-phenylmethoxycarbonyl-phenyl)carbonyl-3,5-bis(phenylmethoxy)benzoic acid

Systemtic Name: 4-(2-nitro-6-phenylmethoxycarbonyl-phenyl)carbonyl-3,5-bis(phenylmethoxy)benzoic acid Openeye Name: 3,5-dibenzyloxy-4-(2-benzyloxycarbonyl-6-nitro-benzoyl)benzoic acid CAS Name: 4-[(2-nitro-6-phenylmethoxycarbonylphenyl)-oxomethyl]-3,5-bis(phenylmethoxy)benzoic acid IUPAC Name: 4-(2-nitro-6-phenylmethoxycarbonylbenzoyl)-3,5-bis(phenylmethoxy)benzoic acid Traditional Name: 3,5-dibenzoxy-4-(2-carbobenzoxy-6-nitro-benzoyl)benzoic acid Formula: C36H27NO9 MolecularWeight: 617.60088

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC(=CC(=C2C(=O)C3=C(C=CC=C3[N+](=O)[O-])C(=O)OCC4=CC=CC=C4)OCC5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC(=CC(=C2C(=O)C3=C(C=CC=C3[N+](=O)[O-])C(=O)OCC4=CC=CC=C4)OCC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C36H27NO9/c38-34(32-28(17-10-18-29(32)37(42)43)36(41)46-23-26-15-8-3-9-16-26)33-30(44-21-24-11-4-1-5-12-24)19-27(35(39)40)20-31(33)45-22-25-13-6-2-7-14-25/h1-20H,21-23H2,(H,39,40)