[1-[(2,6-diethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-methyl-3-nitro-benzoate

Systemtic Name: [1-[(2,6-diethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-methyl-3-nitro-benzoate Openeye Name: [2-(2,6-diethylanilino)-1-methyl-2-oxo-ethyl] 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-nitrobenzoic acid [1-(2,6-diethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,6-diethylanilino)-1-oxopropan-2-yl] 2-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-nitro-benzoic acid [2-(2,6-diethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H24N2O5 MolecularWeight: 384.42566

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)C(C)OC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)C(C)OC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C

InChI

InChI=1S/C21H24N2O5/c1-5-15-9-7-10-16(6-2)19(15)22-20(24)14(4)28-21(25)17-11-8-12-18(13(17)3)23(26)27/h7-12,14H,5-6H2,1-4H3,(H,22,24)