1-(3-methylbutyl)-2,4-dinitro-pyrrole

Systemtic Name: 1-(3-methylbutyl)-2,4-dinitro-pyrrole Openeye Name: 1-isopentyl-2,4-dinitro-pyrrole CAS Name: 1-(3-methylbutyl)-2,4-dinitropyrrole IUPAC Name: 1-(3-methylbutyl)-2,4-dinitropyrrole Traditional Name: 1-isoamyl-2,4-dinitro-pyrrole Formula: C9H13N3O4 MolecularWeight: 227.21722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C=C(C=C1[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)CCN1C=C(C=C1[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C9H13N3O4/c1-7(2)3-4-10-6-8(11(13)14)5-9(10)12(15)16/h5-7H,3-4H2,1-2H3