2-[(5-nitro-1H-indol-3-yl)methyl]propanedioic acid

Systemtic Name: 2-[(5-nitro-1H-indol-3-yl)methyl]propanedioic acid Openeye Name: 2-[(5-nitro-1H-indol-3-yl)methyl]propanedioic acid CAS Name: 2-[(5-nitro-1H-indol-3-yl)methyl]propanedioic acid IUPAC Name: 2-[(5-nitro-1H-indol-3-yl)methyl]propanedioic acid Traditional Name: 2-[(5-nitro-1H-indol-3-yl)methyl]malonic acid Formula: C12H10N2O6 MolecularWeight: 278.2176

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])C(=CN2)CC(C(=O)O)C(=O)O

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])C(=CN2)CC(C(=O)O)C(=O)O

InChI

InChI=1S/C12H10N2O6/c15-11(16)9(12(17)18)3-6-5-13-10-2-1-7(14(19)20)4-8(6)10/h1-2,4-5,9,13H,3H2,(H,15,16)(H,17,18)