4-butyl-2-methyl-7-nitro-1,3-benzoxazole

Systemtic Name: 4-butyl-2-methyl-7-nitro-1,3-benzoxazole Openeye Name: 4-butyl-2-methyl-7-nitro-1,3-benzoxazole CAS Name: 4-butyl-2-methyl-7-nitro-1,3-benzoxazole IUPAC Name: 4-butyl-2-methyl-7-nitro-1,3-benzoxazole Traditional Name: 4-butyl-2-methyl-7-nitro-1,3-benzoxazole Formula: C12H14N2O3 MolecularWeight: 234.25116

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2C(=C(C=C1)[N+](=O)[O-])OC(=N2)C

Isomeric SMILES

CCCCC1=C2C(=C(C=C1)[N+](=O)[O-])OC(=N2)C

InChI

InChI=1S/C12H14N2O3/c1-3-4-5-9-6-7-10(14(15)16)12-11(9)13-8(2)17-12/h6-7H,3-5H2,1-2H3