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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C=C1C(=O)N2CCCNCC2)[N+](=O)[O-]

Isomeric SMILES

CC(C)N1C=C(C=C1C(=O)N2CCCNCC2)[N+](=O)[O-]

InChI

InChI=1S/C13H20N4O3/c1-10(2)16-9-11(17(19)20)8-12(16)13(18)15-6-3-4-14-5-7-15/h8-10,14H,3-7H2,1-2H3