4-[(4,4-dimethyl-7-nitro-2-oxidanylidene-1H-3,1-benzoxazin-6-yl)oxy]butyl methanesulfonate

Systemtic Name: 4-[(4,4-dimethyl-7-nitro-2-oxidanylidene-1H-3,1-benzoxazin-6-yl)oxy]butyl methanesulfonate Openeye Name: 4-[(4,4-dimethyl-7-nitro-2-oxo-1H-3,1-benzoxazin-6-yl)oxy]butyl methanesulfonate CAS Name: methanesulfonic acid 4-[(4,4-dimethyl-7-nitro-2-oxo-1H-3,1-benzoxazin-6-yl)oxy]butyl ester IUPAC Name: 4-[(4,4-dimethyl-7-nitro-2-oxo-1H-3,1-benzoxazin-6-yl)oxy]butyl methanesulfonate Traditional Name: methanesulfonic acid 4-[(2-keto-4,4-dimethyl-7-nitro-1H-3,1-benzoxazin-6-yl)oxy]butyl ester Formula: C15H20N2O8S MolecularWeight: 388.3929

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC(=C(C=C2NC(=O)O1)[N+](=O)[O-])OCCCCOS(=O)(=O)C)C

Isomeric SMILES

CC1(C2=CC(=C(C=C2NC(=O)O1)[N+](=O)[O-])OCCCCOS(=O)(=O)C)C

InChI

InChI=1S/C15H20N2O8S/c1-15(2)10-8-13(23-6-4-5-7-24-26(3,21)22)12(17(19)20)9-11(10)16-14(18)25-15/h8-9H,4-7H2,1-3H3,(H,16,18)