2-azanyl-4-[[(3-methoxy-5-nitro-4-oxidanyl-phenyl)-oxidanyl-methyl]-oxidanyl-phosphoryl]butanoic acid

Systemtic Name: 2-azanyl-4-[[(3-methoxy-5-nitro-4-oxidanyl-phenyl)-oxidanyl-methyl]-oxidanyl-phosphoryl]butanoic acid Openeye Name: 2-amino-4-[hydroxy-[hydroxy-(4-hydroxy-3-methoxy-5-nitro-phenyl)methyl]phosphoryl]butanoic acid CAS Name: 2-amino-4-[hydroxy-[hydroxy-(4-hydroxy-3-methoxy-5-nitrophenyl)methyl]phosphoryl]butanoic acid IUPAC Name: 2-amino-4-[hydroxy-[hydroxy-(4-hydroxy-3-methoxy-5-nitrophenyl)methyl]phosphoryl]butanoic acid Traditional Name: 2-amino-4-[hydroxy-[hydroxy-(4-hydroxy-3-methoxy-5-nitro-phenyl)methyl]phosphoryl]butyric acid Formula: C12H17N2O9P MolecularWeight: 364.245141

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)[N+](=O)[O-])C(O)P(=O)(CCC(C(=O)O)N)O

Isomeric SMILES

COC1=CC(=CC(=C1O)[N+](=O)[O-])C(O)P(=O)(CCC(C(=O)O)N)O

InChI

InChI=1S/C12H17N2O9P/c1-23-9-5-6(4-8(10(9)15)14(19)20)12(18)24(21,22)3-2-7(13)11(16)17/h4-5,7,12,15,18H,2-3,13H2,1H3,(H,16,17)(H,21,22)