5-[(2,4-dimethylphenyl)methyl-methyl-carbamoyl]-2-nitro-phenolate

Systemtic Name: 5-[(2,4-dimethylphenyl)methyl-methyl-carbamoyl]-2-nitro-phenolate Openeye Name: 5-[(2,4-dimethylphenyl)methyl-methyl-carbamoyl]-2-nitro-phenolate CAS Name: 5-[[(2,4-dimethylphenyl)methyl-methylamino]-oxomethyl]-2-nitrophenolate IUPAC Name: 5-[(2,4-dimethylphenyl)methyl-methylcarbamoyl]-2-nitrophenolate Traditional Name: 5-[(2,4-dimethylbenzyl)-methyl-carbamoyl]-2-nitro-phenolate Formula: C17H17N2O4- MolecularWeight: 313.32788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CN(C)C(=O)C2=CC(=C(C=C2)[N+](=O)[O-])[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)CN(C)C(=O)C2=CC(=C(C=C2)[N+](=O)[O-])[O-])C

InChI

InChI=1S/C17H18N2O4/c1-11-4-5-14(12(2)8-11)10-18(3)17(21)13-6-7-15(19(22)23)16(20)9-13/h4-9,20H,10H2,1-3H3/p-1