1-[4-[(3,5-dimethyl-4-oxidanyl-phenyl)methylamino]-3-nitro-phenyl]ethanone

Systemtic Name: 1-[4-[(3,5-dimethyl-4-oxidanyl-phenyl)methylamino]-3-nitro-phenyl]ethanone Openeye Name: 1-[4-[(4-hydroxy-3,5-dimethyl-phenyl)methylamino]-3-nitro-phenyl]ethanone CAS Name: 1-[4-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-3-nitrophenyl]ethanone Traditional Name: 1-[4-[(4-hydroxy-3,5-dimethyl-benzyl)amino]-3-nitro-phenyl]ethanone Formula: C17H18N2O4 MolecularWeight: 314.33582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)CNC2=C(C=C(C=C2)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1O)C)CNC2=C(C=C(C=C2)C(=O)C)[N+](=O)[O-]

InChI

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