[2-oxidanylidene-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-azanyl-4-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-azanyl-4-nitro-benzoate Openeye Name: [2-[[(1S)-1-methylbutyl]amino]-2-oxo-ethyl] 2-amino-4-nitro-benzoate CAS Name: 2-amino-4-nitrobenzoic acid [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-amino-4-nitrobenzoate Traditional Name: 2-amino-4-nitro-benzoic acid [2-keto-2-[[(1S)-1-methylbutyl]amino]ethyl] ester Formula: C14H19N3O5 MolecularWeight: 309.31776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O5/c1-3-4-9(2)16-13(18)8-22-14(19)11-6-5-10(17(20)21)7-12(11)15/h5-7,9H,3-4,8,15H2,1-2H3,(H,16,18)/t9-/m0/s1