2-(3-nitropyrrol-1-yl)ethanoic acid

Systemtic Name: 2-(3-nitropyrrol-1-yl)ethanoic acid Openeye Name: 2-(3-nitropyrrol-1-yl)acetic acid CAS Name: 2-(3-nitro-1-pyrrolyl)acetic acid IUPAC Name: 2-(3-nitropyrrol-1-yl)acetic acid Traditional Name: 2-(3-nitropyrrol-1-yl)acetic acid Formula: C6H6N2O4 MolecularWeight: 170.12284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H6N2O4/c9-6(10)4-7-2-1-5(3-7)8(11)12/h1-3H,4H2,(H,9,10)