[3-(2-nitrooxyethyl)-4-oxidanylidene-2H-1,3-benzoxazin-7-yl] 2-methylpropanoate

Systemtic Name: [3-(2-nitrooxyethyl)-4-oxidanylidene-2H-1,3-benzoxazin-7-yl] 2-methylpropanoate Openeye Name: [3-(2-nitrooxyethyl)-4-oxo-2H-1,3-benzoxazin-7-yl] 2-methylpropanoate CAS Name: 2-methylpropanoic acid [3-(2-nitrooxyethyl)-4-oxo-2H-1,3-benzoxazin-7-yl] ester IUPAC Name: [3-(2-nitrooxyethyl)-4-oxo-2H-1,3-benzoxazin-7-yl] 2-methylpropanoate Traditional Name: 2-methylpropionic acid [4-keto-3-(2-nitrooxyethyl)-2H-1,3-benzoxazin-7-yl] ester Formula: C14H16N2O7 MolecularWeight: 324.28604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)OC1=CC2=C(C=C1)C(=O)N(CO2)CCO[N+](=O)[O-]

Isomeric SMILES

CC(C)C(=O)OC1=CC2=C(C=C1)C(=O)N(CO2)CCO[N+](=O)[O-]

InChI

InChI=1S/C14H16N2O7/c1-9(2)14(18)23-10-3-4-11-12(7-10)21-8-15(13(11)17)5-6-22-16(19)20/h3-4,7,9H,5-6,8H2,1-2H3