1-(3-methylbutyl)-4-nitro-pyrrole-2-carboxylic acid

Systemtic Name: 1-(3-methylbutyl)-4-nitro-pyrrole-2-carboxylic acid Openeye Name: 1-isopentyl-4-nitro-pyrrole-2-carboxylic acid CAS Name: 1-(3-methylbutyl)-4-nitro-2-pyrrolecarboxylic acid IUPAC Name: 1-(3-methylbutyl)-4-nitropyrrole-2-carboxylic acid Traditional Name: 1-isoamyl-4-nitro-pyrrole-2-carboxylic acid Formula: C10H14N2O4 MolecularWeight: 226.22916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C=C(C=C1C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCN1C=C(C=C1C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C10H14N2O4/c1-7(2)3-4-11-6-8(12(15)16)5-9(11)10(13)14/h5-7H,3-4H2,1-2H3,(H,13,14)