1,4-diazepan-1-yl-(4-nitro-1-propyl-pyrrol-2-yl)methanone

Systemtic Name: 1,4-diazepan-1-yl-(4-nitro-1-propyl-pyrrol-2-yl)methanone Openeye Name: 1,4-diazepan-1-yl-(4-nitro-1-propyl-pyrrol-2-yl)methanone CAS Name: 1,4-diazepan-1-yl-(4-nitro-1-propyl-2-pyrrolyl)methanone IUPAC Name: 1,4-diazepan-1-yl-(4-nitro-1-propylpyrrol-2-yl)methanone Traditional Name: 1,4-diazepan-1-yl-(4-nitro-1-propyl-pyrrol-2-yl)methanone Formula: C13H20N4O3 MolecularWeight: 280.3229

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C=C1C(=O)N2CCCNCC2)[N+](=O)[O-]

Isomeric SMILES

CCCN1C=C(C=C1C(=O)N2CCCNCC2)[N+](=O)[O-]

InChI

InChI=1S/C13H20N4O3/c1-2-6-16-10-11(17(19)20)9-12(16)13(18)15-7-3-4-14-5-8-15/h9-10,14H,2-8H2,1H3