methyl (5E)-1-methyl-8-nitro-3,4-dihydro-2H-1-benzazocine-5-carboxylate

Systemtic Name: methyl (5E)-1-methyl-8-nitro-3,4-dihydro-2H-1-benzazocine-5-carboxylate Openeye Name: methyl (5E)-1-methyl-8-nitro-3,4-dihydro-2H-1-benzazocine-5-carboxylate CAS Name: (5E)-1-methyl-8-nitro-3,4-dihydro-2H-1-benzazocine-5-carboxylic acid methyl ester IUPAC Name: methyl (5E)-1-methyl-8-nitro-3,4-dihydro-2H-1-benzazocine-5-carboxylate Traditional Name: (5E)-1-methyl-8-nitro-3,4-dihydro-2H-1-benzazocine-5-carboxylic acid methyl ester Formula: C14H16N2O4 MolecularWeight: 276.28784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC(=CC2=C1C=CC(=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CN1CCC/C(=C\C2=C1C=CC(=C2)[N+](=O)[O-])/C(=O)OC

InChI

InChI=1S/C14H16N2O4/c1-15-7-3-4-10(14(17)20-2)8-11-9-12(16(18)19)5-6-13(11)15/h5-6,8-9H,3-4,7H2,1-2H3/b10-8+