6-chloranyl-N-methyl-N-[1-(3-nitrophenyl)ethyl]-3-oxidanylidene-4H-1,4-benzoxazine-7-sulfonamide

Systemtic Name: 6-chloranyl-N-methyl-N-[1-(3-nitrophenyl)ethyl]-3-oxidanylidene-4H-1,4-benzoxazine-7-sulfonamide Openeye Name: 6-chloro-N-methyl-N-[1-(3-nitrophenyl)ethyl]-3-oxo-4H-1,4-benzoxazine-7-sulfonamide CAS Name: 6-chloro-N-methyl-N-[1-(3-nitrophenyl)ethyl]-3-oxo-4H-1,4-benzoxazine-7-sulfonamide IUPAC Name: 6-chloro-N-methyl-N-[1-(3-nitrophenyl)ethyl]-3-oxo-4H-1,4-benzoxazine-7-sulfonamide Traditional Name: 6-chloro-3-keto-N-methyl-N-[1-(3-nitrophenyl)ethyl]-4H-1,4-benzoxazine-7-sulfonamide Formula: C17H16ClN3O6S MolecularWeight: 425.84344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])N(C)S(=O)(=O)C2=C(C=C3C(=C2)OCC(=O)N3)Cl

Isomeric SMILES

CC(C1=CC(=CC=C1)[N+](=O)[O-])N(C)S(=O)(=O)C2=C(C=C3C(=C2)OCC(=O)N3)Cl

InChI

InChI=1S/C17H16ClN3O6S/c1-10(11-4-3-5-12(6-11)21(23)24)20(2)28(25,26)16-8-15-14(7-13(16)18)19-17(22)9-27-15/h3-8,10H,9H2,1-2H3,(H,19,22)