(5S)-N-(2-methoxy-5-nitro-phenyl)-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

Systemtic Name: (5S)-N-(2-methoxy-5-nitro-phenyl)-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide Openeye Name: (5S)-N-(2-methoxy-5-nitro-phenyl)-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide CAS Name: (5S)-N-(2-methoxy-5-nitrophenyl)-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide IUPAC Name: (5S)-N-(2-methoxy-5-nitrophenyl)-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide Traditional Name: (5S)-N-(2-methoxy-5-nitro-phenyl)-5-methyl-4,5,6,7-tetrahydroindoxazene-3-carboxamide Formula: C16H17N3O5 MolecularWeight: 331.32328

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C(=NO2)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

C[C@H]1CCC2=C(C1)C(=NO2)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C16H17N3O5/c1-9-3-5-13-11(7-9)15(18-24-13)16(20)17-12-8-10(19(21)22)4-6-14(12)23-2/h4,6,8-9H,3,5,7H2,1-2H3,(H,17,20)/t9-/m0/s1