2-[(4-methylphenyl)sulfonylmethyl]-6-nitro-1H-quinazolin-4-one

Systemtic Name: 2-[(4-methylphenyl)sulfonylmethyl]-6-nitro-1H-quinazolin-4-one Openeye Name: 6-nitro-2-(p-tolylsulfonylmethyl)-1H-quinazolin-4-one CAS Name: 2-[(4-methylphenyl)sulfonylmethyl]-6-nitro-1H-quinazolin-4-one IUPAC Name: 2-[(4-methylphenyl)sulfonylmethyl]-6-nitro-1H-quinazolin-4-one Traditional Name: 6-nitro-2-(tosylmethyl)-1H-quinazolin-4-one Formula: C16H13N3O5S MolecularWeight: 359.35652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC2=NC(=O)C3=C(N2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC2=NC(=O)C3=C(N2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O5S/c1-10-2-5-12(6-3-10)25(23,24)9-15-17-14-7-4-11(19(21)22)8-13(14)16(20)18-15/h2-8H,9H2,1H3,(H,17,18,20)