3-(2-acetamidoethyl)-5-methoxy-7-nitro-1H-indole-2-carboxylate

Systemtic Name: 3-(2-acetamidoethyl)-5-methoxy-7-nitro-1H-indole-2-carboxylate Openeye Name: 3-(2-acetamidoethyl)-5-methoxy-7-nitro-1H-indole-2-carboxylate CAS Name: 3-(2-acetamidoethyl)-5-methoxy-7-nitro-1H-indole-2-carboxylate IUPAC Name: 3-(2-acetamidoethyl)-5-methoxy-7-nitro-1H-indole-2-carboxylate Traditional Name: 3-(2-acetamidoethyl)-5-methoxy-7-nitro-1H-indole-2-carboxylate Formula: C14H14N3O6- MolecularWeight: 320.27746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCC1=C(NC2=C(C=C(C=C12)OC)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

CC(=O)NCCC1=C(NC2=C(C=C(C=C12)OC)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C14H15N3O6/c1-7(18)15-4-3-9-10-5-8(23-2)6-11(17(21)22)12(10)16-13(9)14(19)20/h5-6,16H,3-4H2,1-2H3,(H,15,18)(H,19,20)/p-1