2-(1H-indol-3-ylmethyl)-3-methoxy-5-nitro-benzoic acid

Systemtic Name: 2-(1H-indol-3-ylmethyl)-3-methoxy-5-nitro-benzoic acid Openeye Name: 2-(1H-indol-3-ylmethyl)-3-methoxy-5-nitro-benzoic acid CAS Name: 2-(1H-indol-3-ylmethyl)-3-methoxy-5-nitrobenzoic acid IUPAC Name: 2-(1H-indol-3-ylmethyl)-3-methoxy-5-nitrobenzoic acid Traditional Name: 2-(1H-indol-3-ylmethyl)-3-methoxy-5-nitro-benzoic acid Formula: C17H14N2O5 MolecularWeight: 326.30346

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)[N+](=O)[O-])C(=O)O)CC2=CNC3=CC=CC=C32

Isomeric SMILES

COC1=C(C(=CC(=C1)[N+](=O)[O-])C(=O)O)CC2=CNC3=CC=CC=C32

InChI

InChI=1S/C17H14N2O5/c1-24-16-8-11(19(22)23)7-14(17(20)21)13(16)6-10-9-18-15-5-3-2-4-12(10)15/h2-5,7-9,18H,6H2,1H3,(H,20,21)