[2-oxidanylidene-2-(2,4,6-trimethylphenyl)ethyl] 4-azanyl-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(2,4,6-trimethylphenyl)ethyl] 4-azanyl-3-nitro-benzoate Openeye Name: [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid (2-keto-2-mesityl-ethyl) ester Formula: C18H18N2O5 MolecularWeight: 342.34592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O5/c1-10-6-11(2)17(12(3)7-10)16(21)9-25-18(22)13-4-5-14(19)15(8-13)20(23)24/h4-8H,9,19H2,1-3H3