5-methyl-N-[2-(4-nitropyrazol-1-yl)ethyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

Systemtic Name: 5-methyl-N-[2-(4-nitropyrazol-1-yl)ethyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide Openeye Name: 5-methyl-N-[2-(4-nitropyrazol-1-yl)ethyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide CAS Name: 5-methyl-N-[2-(4-nitro-1-pyrazolyl)ethyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide IUPAC Name: 5-methyl-N-[2-(4-nitropyrazol-1-yl)ethyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide Traditional Name: 5-methyl-N-[2-(4-nitropyrazol-1-yl)ethyl]-4,5,6,7-tetrahydroindoxazene-3-carboxamide Formula: C14H17N5O4 MolecularWeight: 319.31588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C(=NO2)C(=O)NCCN3C=C(C=N3)[N+](=O)[O-]

Isomeric SMILES

CC1CCC2=C(C1)C(=NO2)C(=O)NCCN3C=C(C=N3)[N+](=O)[O-]

InChI

InChI=1S/C14H17N5O4/c1-9-2-3-12-11(6-9)13(17-23-12)14(20)15-4-5-18-8-10(7-16-18)19(21)22/h7-9H,2-6H2,1H3,(H,15,20)