5,7-dimethyl-6-(4-nitrophenoxy)-2,3-dihydro-1H-1,4-diazepin-4-ium

Systemtic Name: 5,7-dimethyl-6-(4-nitrophenoxy)-2,3-dihydro-1H-1,4-diazepin-4-ium Openeye Name: 5,7-dimethyl-6-(4-nitrophenoxy)-2,3-dihydro-1H-1,4-diazepin-4-ium CAS Name: 5,7-dimethyl-6-(4-nitrophenoxy)-2,3-dihydro-1H-1,4-diazepin-4-ium IUPAC Name: 5,7-dimethyl-6-(4-nitrophenoxy)-2,3-dihydro-1H-1,4-diazepin-4-ium Traditional Name: 5,7-dimethyl-6-(4-nitrophenoxy)-2,3-dihydro-1H-1,4-diazepin-4-ium Formula: C13H16N3O3+ MolecularWeight: 262.28444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=[NH+]CCN1)C)OC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=[NH+]CCN1)C)OC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H15N3O3/c1-9-13(10(2)15-8-7-14-9)19-12-5-3-11(4-6-12)16(17)18/h3-6,14H,7-8H2,1-2H3/p+1