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

Systemtic Name: (5S)-5-methyl-N-(2-methyl-3-nitro-phenyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide Openeye Name: (5S)-5-methyl-N-(2-methyl-3-nitro-phenyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide CAS Name: (5S)-5-methyl-N-(2-methyl-3-nitrophenyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide IUPAC Name: (5S)-5-methyl-N-(2-methyl-3-nitrophenyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide Traditional Name: (5S)-5-methyl-N-(2-methyl-3-nitro-phenyl)-4,5,6,7-tetrahydroindoxazene-3-carboxamide Formula: C16H17N3O4 MolecularWeight: 315.32388

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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-])C

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O4/c1-9-6-7-14-11(8-9)15(18-23-14)16(20)17-12-4-3-5-13(10(12)2)19(21)22/h3-5,9H,6-8H2,1-2H3,(H,17,20)/t9-/m0/s1