[oxidanylidene-(6-phenyl-2,3,4,7-tetrahydro-1H-azepin-3-yl)azaniumyl]methanoate

Systemtic Name: [oxidanylidene-(6-phenyl-2,3,4,7-tetrahydro-1H-azepin-3-yl)azaniumyl]methanoate Openeye Name: [oxo-(6-phenyl-2,3,4,7-tetrahydro-1H-azepin-3-yl)ammonio]formate CAS Name: [oxo-(6-phenyl-2,3,4,7-tetrahydro-1H-azepin-3-yl)ammonio]formate IUPAC Name: [oxo-(6-phenyl-2,3,4,7-tetrahydro-1H-azepin-3-yl)azaniumyl]formate Traditional Name: [keto-(6-phenyl-2,3,4,7-tetrahydro-1H-azepin-3-yl)ammonio]formate Formula: C13H14N2O3 MolecularWeight: 246.26186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C=C(CNCC1[N+](=O)C(=O)[O-])C2=CC=CC=C2

Isomeric SMILES

C1C=C(CNCC1[N+](=O)C(=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C13H14N2O3/c16-13(17)15(18)12-7-6-11(8-14-9-12)10-4-2-1-3-5-10/h1-6,12,14H,7-9H2