N-methyl-2-[4-nitro-2-[(3-nitro-2H-1,3-benzoxazol-2-yl)methyl]phenyl]ethanamine

Systemtic Name: N-methyl-2-[4-nitro-2-[(3-nitro-2H-1,3-benzoxazol-2-yl)methyl]phenyl]ethanamine Openeye Name: N-methyl-2-[4-nitro-2-[(3-nitro-2H-1,3-benzoxazol-2-yl)methyl]phenyl]ethanamine CAS Name: N-methyl-2-[4-nitro-2-[(3-nitro-2H-1,3-benzoxazol-2-yl)methyl]phenyl]ethanamine IUPAC Name: N-methyl-2-[4-nitro-2-[(3-nitro-2H-1,3-benzoxazol-2-yl)methyl]phenyl]ethanamine Traditional Name: methyl-[2-[4-nitro-2-[(3-nitro-2H-1,3-benzoxazol-2-yl)methyl]phenyl]ethyl]amine Formula: C17H18N4O5 MolecularWeight: 358.34862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNCCC1=C(C=C(C=C1)[N+](=O)[O-])CC2N(C3=CC=CC=C3O2)[N+](=O)[O-]

Isomeric SMILES

CNCCC1=C(C=C(C=C1)[N+](=O)[O-])CC2N(C3=CC=CC=C3O2)[N+](=O)[O-]

InChI

InChI=1S/C17H18N4O5/c1-18-9-8-12-6-7-14(20(22)23)10-13(12)11-17-19(21(24)25)15-4-2-3-5-16(15)26-17/h2-7,10,17-18H,8-9,11H2,1H3