2-nitro-5-[2-[4-(5-phenylpentoxy)phenyl]ethylcarbamoyl]benzoic acid

Systemtic Name: 2-nitro-5-[2-[4-(5-phenylpentoxy)phenyl]ethylcarbamoyl]benzoic acid Openeye Name: 2-nitro-5-[2-[4-(5-phenylpentoxy)phenyl]ethylcarbamoyl]benzoic acid CAS Name: 2-nitro-5-[oxo-[2-[4-(5-phenylpentoxy)phenyl]ethylamino]methyl]benzoic acid IUPAC Name: 2-nitro-5-[2-[4-(5-phenylpentoxy)phenyl]ethylcarbamoyl]benzoic acid Traditional Name: 2-nitro-5-[2-[4-(5-phenylpentoxy)phenyl]ethylcarbamoyl]benzoic acid Formula: C27H28N2O6 MolecularWeight: 476.52102

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCOC2=CC=C(C=C2)CCNC(=O)C3=CC(=C(C=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCCCOC2=CC=C(C=C2)CCNC(=O)C3=CC(=C(C=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C27H28N2O6/c30-26(22-12-15-25(29(33)34)24(19-22)27(31)32)28-17-16-21-10-13-23(14-11-21)35-18-6-2-5-9-20-7-3-1-4-8-20/h1,3-4,7-8,10-15,19H,2,5-6,9,16-18H2,(H,28,30)(H,31,32)