[2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 2-(methylamino)-5-nitro-benzoate

Systemtic Name: [2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 2-(methylamino)-5-nitro-benzoate Openeye Name: [2-(isobutylamino)-2-oxo-ethyl] 2-(methylamino)-5-nitro-benzoate CAS Name: 2-(methylamino)-5-nitrobenzoic acid [2-(2-methylpropylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylamino)-2-oxoethyl] 2-(methylamino)-5-nitrobenzoate Traditional Name: 2-(methylamino)-5-nitro-benzoic acid [2-(isobutylamino)-2-keto-ethyl] ester Formula: C14H19N3O5 MolecularWeight: 309.31776

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NC

Isomeric SMILES

CC(C)CNC(=O)COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NC

InChI

InChI=1S/C14H19N3O5/c1-9(2)7-16-13(18)8-22-14(19)11-6-10(17(20)21)4-5-12(11)15-3/h4-6,9,15H,7-8H2,1-3H3,(H,16,18)