azepin-4-one; 1-oxidanylidene-2H-1,2-benzodiazepin-1-ium-5-one

Systemtic Name: azepin-4-one; 1-oxidanylidene-2H-1,2-benzodiazepin-1-ium-5-one Openeye Name: azepin-4-one; 1-oxo-2H-1,2-benzodiazepin-1-ium-5-one CAS Name: 4-azepinone; 1-oxo-2H-1,2-benzodiazepin-1-ium-5-one IUPAC Name: azepin-4-one; 1-oxo-2H-1,2-benzodiazepin-1-ium-5-one Traditional Name: azepin-4-one; 1-keto-2H-1,2-benzodiazepin-1-ium-5-one Formula: C21H17N4O4+ MolecularWeight: 389.38408

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C=CN[N+]2=O.C1=CC(=O)C=CN=C1.C1=CC(=O)C=CN=C1

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C=CN[N+]2=O.C1=CC(=O)C=CN=C1.C1=CC(=O)C=CN=C1

InChI

InChI=1S/C9H6N2O2.2C6H5NO/c12-9-5-6-10-11(13)8-4-2-1-3-7(8)9;2*8-6-2-1-4-7-5-3-6/h1-6H;2*1-5H/p+1