3-[(4-methoxyphenyl)methyl]-5-nitro-1H-indole-2-carboxylic acid

Systemtic Name: 3-[(4-methoxyphenyl)methyl]-5-nitro-1H-indole-2-carboxylic acid Openeye Name: 3-[(4-methoxyphenyl)methyl]-5-nitro-1H-indole-2-carboxylic acid CAS Name: 3-[(4-methoxyphenyl)methyl]-5-nitro-1H-indole-2-carboxylic acid IUPAC Name: 3-[(4-methoxyphenyl)methyl]-5-nitro-1H-indole-2-carboxylic acid Traditional Name: 5-nitro-3-p-anisyl-1H-indole-2-carboxylic acid Formula: C17H14N2O5 MolecularWeight: 326.30346

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC2=C(NC3=C2C=C(C=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)CC2=C(NC3=C2C=C(C=C3)[N+](=O)[O-])C(=O)O

InChI

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