[2-(3-methyl-4-nitro-phenyl)-4-oxidanylidene-3,1-benzoxazin-6-yl] ethanoate

Systemtic Name: [2-(3-methyl-4-nitro-phenyl)-4-oxidanylidene-3,1-benzoxazin-6-yl] ethanoate Openeye Name: [2-(3-methyl-4-nitro-phenyl)-4-oxo-3,1-benzoxazin-6-yl] acetate CAS Name: acetic acid [2-(3-methyl-4-nitrophenyl)-4-oxo-3,1-benzoxazin-6-yl] ester IUPAC Name: [2-(3-methyl-4-nitrophenyl)-4-oxo-3,1-benzoxazin-6-yl] acetate Traditional Name: acetic acid [4-keto-2-(3-methyl-4-nitro-phenyl)-3,1-benzoxazin-6-yl] ester Formula: C17H12N2O6 MolecularWeight: 340.28698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NC3=C(C=C(C=C3)OC(=O)C)C(=O)O2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NC3=C(C=C(C=C3)OC(=O)C)C(=O)O2)[N+](=O)[O-]

InChI

InChI=1S/C17H12N2O6/c1-9-7-11(3-6-15(9)19(22)23)16-18-14-5-4-12(24-10(2)20)8-13(14)17(21)25-16/h3-8H,1-2H3