5-nitro-1-propyl-indole-2-carboxylic acid

Systemtic Name: 5-nitro-1-propyl-indole-2-carboxylic acid Openeye Name: 5-nitro-1-propyl-indole-2-carboxylic acid CAS Name: 5-nitro-1-propyl-2-indolecarboxylic acid IUPAC Name: 5-nitro-1-propylindole-2-carboxylic acid Traditional Name: 5-nitro-1-propyl-indole-2-carboxylic acid Formula: C12H12N2O4 MolecularWeight: 248.23468

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C=C1C(=O)O

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C=C1C(=O)O

InChI

InChI=1S/C12H12N2O4/c1-2-5-13-10-4-3-9(14(17)18)6-8(10)7-11(13)12(15)16/h3-4,6-7H,2,5H2,1H3,(H,15,16)