methyl (2R)-4-(2-cyano-4-nitro-phenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate

Systemtic Name: methyl (2R)-4-(2-cyano-4-nitro-phenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate Openeye Name: methyl (2R)-4-(2-cyano-4-nitro-phenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate CAS Name: (2R)-4-(2-cyano-4-nitrophenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid methyl ester IUPAC Name: methyl (2R)-4-(2-cyano-4-nitrophenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate Traditional Name: (2R)-4-(2-cyano-4-nitro-phenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid methyl ester Formula: C17H13N3O5 MolecularWeight: 339.30222

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(C2=CC=CC=C2O1)C3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

COC(=O)[C@H]1CN(C2=CC=CC=C2O1)C3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C17H13N3O5/c1-24-17(21)16-10-19(14-4-2-3-5-15(14)25-16)13-7-6-12(20(22)23)8-11(13)9-18/h2-8,16H,10H2,1H3/t16-/m1/s1