3-(9-methoxy-7-nitro-6-oxidanylidene-benzo[b][1,4]benzoxazepin-5-yl)propyl-dimethyl-azanium

Systemtic Name: 3-(9-methoxy-7-nitro-6-oxidanylidene-benzo[b][1,4]benzoxazepin-5-yl)propyl-dimethyl-azanium Openeye Name: 3-(9-methoxy-7-nitro-6-oxo-benzo[b][1,4]benzoxazepin-5-yl)propyl-dimethyl-ammonium CAS Name: 3-(9-methoxy-7-nitro-6-oxo-5-benzo[b][1,4]benzoxazepinyl)propyl-dimethylammonium IUPAC Name: 3-(9-methoxy-7-nitro-6-oxobenzo[b][1,4]benzoxazepin-5-yl)propyl-dimethylazanium Traditional Name: 3-(6-keto-9-methoxy-7-nitro-benzo[b][1,4]benzoxazepin-5-yl)propyl-dimethyl-ammonium Formula: C19H22N3O5+ MolecularWeight: 372.39508

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN1C2=CC=CC=C2OC3=C(C1=O)C(=CC(=C3)OC)[N+](=O)[O-]

Isomeric SMILES

C[NH+](C)CCCN1C2=CC=CC=C2OC3=C(C1=O)C(=CC(=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O5/c1-20(2)9-6-10-21-14-7-4-5-8-16(14)27-17-12-13(26-3)11-15(22(24)25)18(17)19(21)23/h4-5,7-8,11-12H,6,9-10H2,1-3H3/p+1