3-(3-nitrophenyl)carbonyl-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-one

Systemtic Name: 3-(3-nitrophenyl)carbonyl-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-one Openeye Name: 3-(3-nitrobenzoyl)-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-one CAS Name: 3-[(3-nitrophenyl)-oxomethyl]-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-one IUPAC Name: 3-(3-nitrobenzoyl)-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-one Traditional Name: 3-(3-nitrobenzoyl)-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-one Formula: C14H14N2O4S MolecularWeight: 306.33696

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)N(C(=O)S2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCC2C(C1)N(C(=O)S2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H14N2O4S/c17-13(9-4-3-5-10(8-9)16(19)20)15-11-6-1-2-7-12(11)21-14(15)18/h3-5,8,11-12H,1-2,6-7H2