4-azanyl-2-[3-(4-nitroimidazol-1-yl)propanoylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-2-[3-(4-nitroimidazol-1-yl)propanoylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-[3-(4-nitroimidazol-1-yl)propanoylamino]-4-oxo-butanoic acid CAS Name: 4-amino-2-[[3-(4-nitro-1-imidazolyl)-1-oxopropyl]amino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[3-(4-nitroimidazol-1-yl)propanoylamino]-4-oxobutanoic acid Traditional Name: 4-amino-4-keto-2-[3-(4-nitroimidazol-1-yl)propanoylamino]butyric acid Formula: C10H13N5O6 MolecularWeight: 299.24012

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(N=CN1CCC(=O)NC(CC(=O)N)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=C(N=CN1CCC(=O)NC(CC(=O)N)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C10H13N5O6/c11-7(16)3-6(10(18)19)13-9(17)1-2-14-4-8(12-5-14)15(20)21/h4-6H,1-3H2,(H2,11,16)(H,13,17)(H,18,19)