ethyl 2-[(4-nitrophenyl)methylsulfonyl]-1,2-diazinane-1-carboxylate

Systemtic Name: ethyl 2-[(4-nitrophenyl)methylsulfonyl]-1,2-diazinane-1-carboxylate Openeye Name: ethyl 2-[(4-nitrophenyl)methylsulfonyl]hexahydropyridazine-1-carboxylate CAS Name: 2-[(4-nitrophenyl)methylsulfonyl]-1-diazinanecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-nitrophenyl)methylsulfonyl]diazinane-1-carboxylate Traditional Name: 2-(4-nitrobenzyl)sulfonylhexahydropyridazine-1-carboxylic acid ethyl ester Formula: C14H19N3O6S MolecularWeight: 357.38216

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCCCN1S(=O)(=O)CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCCCN1S(=O)(=O)CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H19N3O6S/c1-2-23-14(18)15-9-3-4-10-16(15)24(21,22)11-12-5-7-13(8-6-12)17(19)20/h5-8H,2-4,9-11H2,1H3