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

Systemtic Name: 4-[(4,4-dimethyl-7-nitro-2-oxidanylidene-1H-3,1-benzoxazin-6-yl)oxy]butyl ethanoate Openeye Name: 4-[(4,4-dimethyl-7-nitro-2-oxo-1H-3,1-benzoxazin-6-yl)oxy]butyl acetate CAS Name: acetic 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 acetate Traditional Name: acetic acid 4-[(2-keto-4,4-dimethyl-7-nitro-1H-3,1-benzoxazin-6-yl)oxy]butyl ester Formula: C16H20N2O7 MolecularWeight: 352.3392

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCCOC1=C(C=C2C(=C1)C(OC(=O)N2)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)OCCCCOC1=C(C=C2C(=C1)C(OC(=O)N2)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C16H20N2O7/c1-10(19)23-6-4-5-7-24-14-8-11-12(9-13(14)18(21)22)17-15(20)25-16(11,2)3/h8-9H,4-7H2,1-3H3,(H,17,20)