methyl (2S)-4-(4-ethanoyl-2-nitro-phenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate

Systemtic Name: methyl (2S)-4-(4-ethanoyl-2-nitro-phenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate Openeye Name: methyl (2S)-4-(4-acetyl-2-nitro-phenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate CAS Name: (2S)-4-(4-acetyl-2-nitrophenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid methyl ester IUPAC Name: methyl (2S)-4-(4-acetyl-2-nitrophenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate Traditional Name: (2S)-4-(4-acetyl-2-nitro-phenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid methyl ester Formula: C18H16N2O6 MolecularWeight: 356.32944

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CC(OC3=CC=CC=C32)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2C[C@H](OC3=CC=CC=C32)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H16N2O6/c1-11(21)12-7-8-13(15(9-12)20(23)24)19-10-17(18(22)25-2)26-16-6-4-3-5-14(16)19/h3-9,17H,10H2,1-2H3/t17-/m0/s1