[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 2-azanyl-5-nitro-benzoate

Systemtic Name: [2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 2-azanyl-5-nitro-benzoate Openeye Name: [2-(2,5-dimethylphenyl)-2-oxo-ethyl] 2-amino-5-nitro-benzoate CAS Name: 2-amino-5-nitrobenzoic acid [2-(2,5-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylphenyl)-2-oxoethyl] 2-amino-5-nitrobenzoate Traditional Name: 2-amino-5-nitro-benzoic acid [2-(2,5-dimethylphenyl)-2-keto-ethyl] ester Formula: C17H16N2O5 MolecularWeight: 328.31934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O5/c1-10-3-4-11(2)13(7-10)16(20)9-24-17(21)14-8-12(19(22)23)5-6-15(14)18/h3-8H,9,18H2,1-2H3