(2S)-3-methyl-2-[(1-methyl-5-nitro-pyrrol-2-yl)carbonylamino]butanoate

Systemtic Name: (2S)-3-methyl-2-[(1-methyl-5-nitro-pyrrol-2-yl)carbonylamino]butanoate Openeye Name: (2S)-3-methyl-2-[(1-methyl-5-nitro-pyrrole-2-carbonyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[[(1-methyl-5-nitro-2-pyrrolyl)-oxomethyl]amino]butanoate IUPAC Name: (2S)-3-methyl-2-[(1-methyl-5-nitropyrrole-2-carbonyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-[(1-methyl-5-nitro-pyrrole-2-carbonyl)amino]butyrate Formula: C11H14N3O5- MolecularWeight: 268.24596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])NC(=O)C1=CC=C(N1C)[N+](=O)[O-]

Isomeric SMILES

CC(C)[C@@H](C(=O)[O-])NC(=O)C1=CC=C(N1C)[N+](=O)[O-]

InChI

InChI=1S/C11H15N3O5/c1-6(2)9(11(16)17)12-10(15)7-4-5-8(13(7)3)14(18)19/h4-6,9H,1-3H3,(H,12,15)(H,16,17)/p-1/t9-/m0/s1