methyl 6-nitro-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate

Systemtic Name: methyl 6-nitro-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate Openeye Name: methyl 6-nitro-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate CAS Name: 6-nitro-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylic acid methyl ester IUPAC Name: methyl 6-nitro-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate Traditional Name: 6-nitro-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylic acid methyl ester Formula: C12H14N2O4 MolecularWeight: 250.25056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCC2=C(CC1)C(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)N1CCC2=C(CC1)C(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H14N2O4/c1-18-12(15)13-7-5-9-3-2-4-11(14(16)17)10(9)6-8-13/h2-4H,5-8H2,1H3