[(2S)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 2-azanyl-4-nitro-benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C(=O)NCC(C)C)OC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])N

InChI

InChI=1S/C14H19N3O5/c1-8(2)7-16-13(18)9(3)22-14(19)11-5-4-10(17(20)21)6-12(11)15/h4-6,8-9H,7,15H2,1-3H3,(H,16,18)/t9-/m0/s1