2-nitro-6-[2-(5-phenylmethoxy-1H-indol-3-yl)ethylcarbamoyl]benzoic acid

Systemtic Name: 2-nitro-6-[2-(5-phenylmethoxy-1H-indol-3-yl)ethylcarbamoyl]benzoic acid Openeye Name: 2-[2-(5-benzyloxy-1H-indol-3-yl)ethylcarbamoyl]-6-nitro-benzoic acid CAS Name: 2-nitro-6-[oxo-[2-(5-phenylmethoxy-1H-indol-3-yl)ethylamino]methyl]benzoic acid IUPAC Name: 2-nitro-6-[2-(5-phenylmethoxy-1H-indol-3-yl)ethylcarbamoyl]benzoic acid Traditional Name: 2-[2-(5-benzoxy-1H-indol-3-yl)ethylcarbamoyl]-6-nitro-benzoic acid Formula: C25H21N3O6 MolecularWeight: 459.45074

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC=C3CCNC(=O)C4=C(C(=CC=C4)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC=C3CCNC(=O)C4=C(C(=CC=C4)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C25H21N3O6/c29-24(19-7-4-8-22(28(32)33)23(19)25(30)31)26-12-11-17-14-27-21-10-9-18(13-20(17)21)34-15-16-5-2-1-3-6-16/h1-10,13-14,27H,11-12,15H2,(H,26,29)(H,30,31)