7-methoxy-8-nitro-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylic acid

Systemtic Name: 7-methoxy-8-nitro-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylic acid Openeye Name: 7-methoxy-8-nitro-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylic acid CAS Name: 7-methoxy-8-nitro-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylic acid IUPAC Name: 7-methoxy-8-nitro-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylic acid Traditional Name: 7-methoxy-8-nitro-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylic acid Formula: C12H14N2O5 MolecularWeight: 266.24996

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CCN(CCC2=C1)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C2CCN(CCC2=C1)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C12H14N2O5/c1-19-11-7-9-3-5-13(12(15)16)4-2-8(9)6-10(11)14(17)18/h6-7H,2-5H2,1H3,(H,15,16)