[2-[(3,5-dimethyl-4-oxidanyl-phenyl)methylamino]-2-oxidanylidene-ethyl] 3-methyl-2-nitro-benzoate

Systemtic Name: [2-[(3,5-dimethyl-4-oxidanyl-phenyl)methylamino]-2-oxidanylidene-ethyl] 3-methyl-2-nitro-benzoate Openeye Name: [2-[(4-hydroxy-3,5-dimethyl-phenyl)methylamino]-2-oxo-ethyl] 3-methyl-2-nitro-benzoate CAS Name: 3-methyl-2-nitrobenzoic acid [2-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-2-oxoethyl] 3-methyl-2-nitrobenzoate Traditional Name: 3-methyl-2-nitro-benzoic acid [2-[(4-hydroxy-3,5-dimethyl-benzyl)amino]-2-keto-ethyl] ester Formula: C19H20N2O6 MolecularWeight: 372.3719

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)OCC(=O)NCC2=CC(=C(C(=C2)C)O)C

Isomeric SMILES

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)OCC(=O)NCC2=CC(=C(C(=C2)C)O)C

InChI

InChI=1S/C19H20N2O6/c1-11-5-4-6-15(17(11)21(25)26)19(24)27-10-16(22)20-9-14-7-12(2)18(23)13(3)8-14/h4-8,23H,9-10H2,1-3H3,(H,20,22)