5-nitro-3-[(1-propyl-1,2,3,4-tetrazol-5-yl)methyl]-1,3-benzoxazol-2-one

Systemtic Name: 5-nitro-3-[(1-propyl-1,2,3,4-tetrazol-5-yl)methyl]-1,3-benzoxazol-2-one Openeye Name: 5-nitro-3-[(1-propyltetrazol-5-yl)methyl]-1,3-benzoxazol-2-one CAS Name: 5-nitro-3-[(1-propyl-5-tetrazolyl)methyl]-1,3-benzoxazol-2-one IUPAC Name: 5-nitro-3-[(1-propyltetrazol-5-yl)methyl]-1,3-benzoxazol-2-one Traditional Name: 5-nitro-3-[(1-propyltetrazol-5-yl)methyl]-1,3-benzoxazol-2-one Formula: C12H12N6O4 MolecularWeight: 304.26148

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=N1)CN2C3=C(C=CC(=C3)[N+](=O)[O-])OC2=O

Isomeric SMILES

CCCN1C(=NN=N1)CN2C3=C(C=CC(=C3)[N+](=O)[O-])OC2=O

InChI

InChI=1S/C12H12N6O4/c1-2-5-17-11(13-14-15-17)7-16-9-6-8(18(20)21)3-4-10(9)22-12(16)19/h3-4,6H,2,5,7H2,1H3