3-[(3,5-dimethylphenyl)methyl]-5-nitro-1,3-benzoxazol-2-one

Systemtic Name: 3-[(3,5-dimethylphenyl)methyl]-5-nitro-1,3-benzoxazol-2-one Openeye Name: 3-[(3,5-dimethylphenyl)methyl]-5-nitro-1,3-benzoxazol-2-one CAS Name: 3-[(3,5-dimethylphenyl)methyl]-5-nitro-1,3-benzoxazol-2-one IUPAC Name: 3-[(3,5-dimethylphenyl)methyl]-5-nitro-1,3-benzoxazol-2-one Traditional Name: 3-(3,5-dimethylbenzyl)-5-nitro-1,3-benzoxazol-2-one Formula: C16H14N2O4 MolecularWeight: 298.29336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O4/c1-10-5-11(2)7-12(6-10)9-17-14-8-13(18(20)21)3-4-15(14)22-16(17)19/h3-8H,9H2,1-2H3