5-nitro-3-[[(phenylmethyl)-propan-2-yl-amino]methyl]-1,3-benzoxazol-2-one

Systemtic Name: 5-nitro-3-[[(phenylmethyl)-propan-2-yl-amino]methyl]-1,3-benzoxazol-2-one Openeye Name: 3-[[benzyl(isopropyl)amino]methyl]-5-nitro-1,3-benzoxazol-2-one CAS Name: 5-nitro-3-[[(phenylmethyl)-propan-2-ylamino]methyl]-1,3-benzoxazol-2-one IUPAC Name: 3-[[benzyl(propan-2-yl)amino]methyl]-5-nitro-1,3-benzoxazol-2-one Traditional Name: 3-[[benzyl(isopropyl)amino]methyl]-5-nitro-1,3-benzoxazol-2-one Formula: C18H19N3O4 MolecularWeight: 341.36116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O4/c1-13(2)19(11-14-6-4-3-5-7-14)12-20-16-10-15(21(23)24)8-9-17(16)25-18(20)22/h3-10,13H,11-12H2,1-2H3