1-[(4-nitro-1H-pyrrol-2-yl)carbonyl]-1,4-diazepan-5-one

Systemtic Name: 1-[(4-nitro-1H-pyrrol-2-yl)carbonyl]-1,4-diazepan-5-one Openeye Name: 1-(4-nitro-1H-pyrrole-2-carbonyl)-1,4-diazepan-5-one CAS Name: 1-[(4-nitro-1H-pyrrol-2-yl)-oxomethyl]-1,4-diazepan-5-one IUPAC Name: 1-(4-nitro-1H-pyrrole-2-carbonyl)-1,4-diazepan-5-one Traditional Name: 1-(4-nitro-1H-pyrrole-2-carbonyl)-1,4-diazepan-5-one Formula: C10H12N4O4 MolecularWeight: 252.22668

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCNC1=O)C(=O)C2=CC(=CN2)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCNC1=O)C(=O)C2=CC(=CN2)[N+](=O)[O-]

InChI

InChI=1S/C10H12N4O4/c15-9-1-3-13(4-2-11-9)10(16)8-5-7(6-12-8)14(17)18/h5-6,12H,1-4H2,(H,11,15)