ethyl 4-[4-[[(5-nitrofuran-2-yl)carbonylamino]methyl]phenyl]-1,4-diazepane-1-carboxylate

Systemtic Name: ethyl 4-[4-[[(5-nitrofuran-2-yl)carbonylamino]methyl]phenyl]-1,4-diazepane-1-carboxylate Openeye Name: ethyl 4-[4-[[(5-nitrofuran-2-carbonyl)amino]methyl]phenyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[4-[[[(5-nitro-2-furanyl)-oxomethyl]amino]methyl]phenyl]-1,4-diazepane-1-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[[(5-nitrofuran-2-carbonyl)amino]methyl]phenyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[4-[[(5-nitro-2-furoyl)amino]methyl]phenyl]-1,4-diazepane-1-carboxylic acid ethyl ester Formula: C20H24N4O6 MolecularWeight: 416.42776

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCCN(CC1)C2=CC=C(C=C2)CNC(=O)C3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCCN(CC1)C2=CC=C(C=C2)CNC(=O)C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O6/c1-2-29-20(26)23-11-3-10-22(12-13-23)16-6-4-15(5-7-16)14-21-19(25)17-8-9-18(30-17)24(27)28/h4-9H,2-3,10-14H2,1H3,(H,21,25)