1,4-diazepan-1-yl-(5-nitrothiophen-2-yl)methanone

Systemtic Name: 1,4-diazepan-1-yl-(5-nitrothiophen-2-yl)methanone Openeye Name: 1,4-diazepan-1-yl-(5-nitro-2-thienyl)methanone CAS Name: 1,4-diazepan-1-yl-(5-nitro-2-thiophenyl)methanone IUPAC Name: 1,4-diazepan-1-yl-(5-nitrothiophen-2-yl)methanone Traditional Name: 1,4-diazepan-1-yl-(5-nitro-2-thienyl)methanone Formula: C10H13N3O3S MolecularWeight: 255.29352

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(=O)C2=CC=C(S2)[N+](=O)[O-]

Isomeric SMILES

C1CNCCN(C1)C(=O)C2=CC=C(S2)[N+](=O)[O-]

InChI

InChI=1S/C10H13N3O3S/c14-10(12-6-1-4-11-5-7-12)8-2-3-9(17-8)13(15)16/h2-3,11H,1,4-7H2