3-[[methyl-(phenylmethyl)amino]methyl]-6-nitro-1,3-benzoxazol-2-one

Systemtic Name: 3-[[methyl-(phenylmethyl)amino]methyl]-6-nitro-1,3-benzoxazol-2-one Openeye Name: 3-[[benzyl(methyl)amino]methyl]-6-nitro-1,3-benzoxazol-2-one CAS Name: 3-[[methyl-(phenylmethyl)amino]methyl]-6-nitro-1,3-benzoxazol-2-one IUPAC Name: 3-[[benzyl(methyl)amino]methyl]-6-nitro-1,3-benzoxazol-2-one Traditional Name: 3-[[benzyl(methyl)amino]methyl]-6-nitro-1,3-benzoxazol-2-one Formula: C16H15N3O4 MolecularWeight: 313.308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)CN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

Isomeric SMILES

CN(CC1=CC=CC=C1)CN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

InChI

InChI=1S/C16H15N3O4/c1-17(10-12-5-3-2-4-6-12)11-18-14-8-7-13(19(21)22)9-15(14)23-16(18)20/h2-9H,10-11H2,1H3