(2S)-4-[2-nitro-4-(phenylcarbonyl)phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: (2S)-4-[2-nitro-4-(phenylcarbonyl)phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: (2S)-4-(4-benzoyl-2-nitro-phenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: (2S)-4-(4-benzoyl-2-nitrophenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: (2S)-4-(4-benzoyl-2-nitrophenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: (2S)-4-(4-benzoyl-2-nitro-phenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C22H17N3O5 MolecularWeight: 403.38748

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2N1C3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)[N+](=O)[O-])C(=O)N

Isomeric SMILES

C1[C@H](OC2=CC=CC=C2N1C3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)[N+](=O)[O-])C(=O)N

InChI

InChI=1S/C22H17N3O5/c23-22(27)20-13-24(17-8-4-5-9-19(17)30-20)16-11-10-15(12-18(16)25(28)29)21(26)14-6-2-1-3-7-14/h1-12,20H,13H2,(H2,23,27)/t20-/m0/s1