2-azanyl-1-(4-nitrophenyl)propane-1,3-diol; propanedioic acid

Systemtic Name: 2-azanyl-1-(4-nitrophenyl)propane-1,3-diol; propanedioic acid Openeye Name: 2-amino-1-(4-nitrophenyl)propane-1,3-diol; malonic acid CAS Name: 2-amino-1-(4-nitrophenyl)propane-1,3-diol; propanedioic acid IUPAC Name: 2-amino-1-(4-nitrophenyl)propane-1,3-diol; propanedioic acid Traditional Name: 2-amino-1-(4-nitrophenyl)propane-1,3-diol; malonic acid Formula: C12H16N2O8 MolecularWeight: 316.26404

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(C(CO)N)O)[N+](=O)[O-].C(C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(C(CO)N)O)[N+](=O)[O-].C(C(=O)O)C(=O)O

InChI

InChI=1S/C9H12N2O4.C3H4O4/c10-8(5-12)9(13)6-1-3-7(4-2-6)11(14)15;4-2(5)1-3(6)7/h1-4,8-9,12-13H,5,10H2;1H2,(H,4,5)(H,6,7)