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

Systemtic Name: (2S)-4-(4-ethanoyl-2-nitro-phenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: (2S)-4-(4-acetyl-2-nitro-phenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: (2S)-4-(4-acetyl-2-nitrophenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: (2S)-4-(4-acetyl-2-nitrophenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: (2S)-4-(4-acetyl-2-nitro-phenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C17H15N3O5 MolecularWeight: 341.3181

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O5/c1-10(21)11-6-7-12(14(8-11)20(23)24)19-9-16(17(18)22)25-15-5-3-2-4-13(15)19/h2-8,16H,9H2,1H3,(H2,18,22)/t16-/m0/s1