N-(2-methyl-3-nitro-phenyl)-2-[(2S)-3-oxidanylidene-4H-1,4-benzoxazin-2-yl]ethanamide

Systemtic Name: N-(2-methyl-3-nitro-phenyl)-2-[(2S)-3-oxidanylidene-4H-1,4-benzoxazin-2-yl]ethanamide Openeye Name: N-(2-methyl-3-nitro-phenyl)-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide CAS Name: N-(2-methyl-3-nitrophenyl)-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide IUPAC Name: N-(2-methyl-3-nitrophenyl)-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide Traditional Name: 2-[(2S)-3-keto-4H-1,4-benzoxazin-2-yl]-N-(2-methyl-3-nitro-phenyl)acetamide Formula: C17H15N3O5 MolecularWeight: 341.3181

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CC2C(=O)NC3=CC=CC=C3O2

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C[C@H]2C(=O)NC3=CC=CC=C3O2

InChI

InChI=1S/C17H15N3O5/c1-10-11(6-4-7-13(10)20(23)24)18-16(21)9-15-17(22)19-12-5-2-3-8-14(12)25-15/h2-8,15H,9H2,1H3,(H,18,21)(H,19,22)/t15-/m0/s1