[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxidanylidene-ethyl] 4-(2-methoxyethylamino)-3-nitro-benzoate

Systemtic Name: [2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxidanylidene-ethyl] 4-(2-methoxyethylamino)-3-nitro-benzoate Openeye Name: [2-[[(1S)-1,2-dimethylpropyl]amino]-2-oxo-ethyl] 4-(2-methoxyethylamino)-3-nitro-benzoate CAS Name: 4-(2-methoxyethylamino)-3-nitrobenzoic acid [2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 4-(2-methoxyethylamino)-3-nitrobenzoate Traditional Name: 4-(2-methoxyethylamino)-3-nitro-benzoic acid [2-[[(1S)-1,2-dimethylpropyl]amino]-2-keto-ethyl] ester Formula: C17H25N3O6 MolecularWeight: 367.3969

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C(C)C)NC(=O)COC(=O)C1=CC(=C(C=C1)NCCOC)[N+](=O)[O-]

InChI

InChI=1S/C17H25N3O6/c1-11(2)12(3)19-16(21)10-26-17(22)13-5-6-14(18-7-8-25-4)15(9-13)20(23)24/h5-6,9,11-12,18H,7-8,10H2,1-4H3,(H,19,21)/t12-/m0/s1