ethyl 4-(2-ethoxy-2-oxidanylidene-ethyl)-2-methyl-6-nitro-3-oxidanylidene-1,4-benzoxazine-2-carboxylate

Systemtic Name: ethyl 4-(2-ethoxy-2-oxidanylidene-ethyl)-2-methyl-6-nitro-3-oxidanylidene-1,4-benzoxazine-2-carboxylate Openeye Name: ethyl 4-(2-ethoxy-2-oxo-ethyl)-2-methyl-6-nitro-3-oxo-1,4-benzoxazine-2-carboxylate CAS Name: 4-(2-ethoxy-2-oxoethyl)-2-methyl-6-nitro-3-oxo-1,4-benzoxazine-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-ethoxy-2-oxoethyl)-2-methyl-6-nitro-3-oxo-1,4-benzoxazine-2-carboxylate Traditional Name: 4-(2-ethoxy-2-keto-ethyl)-3-keto-2-methyl-6-nitro-1,4-benzoxazine-2-carboxylic acid ethyl ester Formula: C16H18N2O8 MolecularWeight: 366.32272

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=CC(=C2)[N+](=O)[O-])OC(C1=O)(C)C(=O)OCC

Isomeric SMILES

CCOC(=O)CN1C2=C(C=CC(=C2)[N+](=O)[O-])OC(C1=O)(C)C(=O)OCC

InChI

InChI=1S/C16H18N2O8/c1-4-24-13(19)9-17-11-8-10(18(22)23)6-7-12(11)26-16(3,14(17)20)15(21)25-5-2/h6-8H,4-5,9H2,1-3H3