(2S)-4-azanyl-2-[(5-nitro-1H-pyrrol-2-yl)carbonylamino]-4-oxidanylidene-butanoate

Systemtic Name: (2S)-4-azanyl-2-[(5-nitro-1H-pyrrol-2-yl)carbonylamino]-4-oxidanylidene-butanoate Openeye Name: (2S)-4-amino-2-[(5-nitro-1H-pyrrole-2-carbonyl)amino]-4-oxo-butanoate CAS Name: (2S)-4-amino-2-[[(5-nitro-1H-pyrrol-2-yl)-oxomethyl]amino]-4-oxobutanoate IUPAC Name: (2S)-4-amino-2-[(5-nitro-1H-pyrrole-2-carbonyl)amino]-4-oxobutanoate Traditional Name: (2S)-4-amino-4-keto-2-[(5-nitro-1H-pyrrole-2-carbonyl)amino]butyrate Formula: C9H9N4O6- MolecularWeight: 269.19096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10N4O6/c10-6(14)3-5(9(16)17)12-8(15)4-1-2-7(11-4)13(18)19/h1-2,5,11H,3H2,(H2,10,14)(H,12,15)(H,16,17)/p-1/t5-/m0/s1