4-(2-nitroethyl)-7-phenylmethoxy-1H-indole-2-carboxylic acid

Systemtic Name: 4-(2-nitroethyl)-7-phenylmethoxy-1H-indole-2-carboxylic acid Openeye Name: 7-benzyloxy-4-(2-nitroethyl)-1H-indole-2-carboxylic acid CAS Name: 4-(2-nitroethyl)-7-phenylmethoxy-1H-indole-2-carboxylic acid IUPAC Name: 4-(2-nitroethyl)-7-phenylmethoxy-1H-indole-2-carboxylic acid Traditional Name: 7-benzoxy-4-(2-nitroethyl)-1H-indole-2-carboxylic acid Formula: C18H16N2O5 MolecularWeight: 340.33004

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C3C(=C(C=C2)CC[N+](=O)[O-])C=C(N3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=C3C(=C(C=C2)CC[N+](=O)[O-])C=C(N3)C(=O)O

InChI

InChI=1S/C18H16N2O5/c21-18(22)15-10-14-13(8-9-20(23)24)6-7-16(17(14)19-15)25-11-12-4-2-1-3-5-12/h1-7,10,19H,8-9,11H2,(H,21,22)