2-[4-[[(5-nitrofuran-2-yl)carbonylamino]methyl]piperidin-1-yl]ethyl 4-azanyl-5-chloranyl-2-methoxy-benzoate

Systemtic Name: 2-[4-[[(5-nitrofuran-2-yl)carbonylamino]methyl]piperidin-1-yl]ethyl 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: 2-[4-[[(5-nitrofuran-2-carbonyl)amino]methyl]-1-piperidyl]ethyl 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid 2-[4-[[[(5-nitro-2-furanyl)-oxomethyl]amino]methyl]-1-piperidinyl]ethyl ester IUPAC Name: 2-[4-[[(5-nitrofuran-2-carbonyl)amino]methyl]piperidin-1-yl]ethyl 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid 2-[4-[[(5-nitro-2-furoyl)amino]methyl]piperidino]ethyl ester Formula: C21H25ClN4O7 MolecularWeight: 480.8988

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OCCN2CCC(CC2)CNC(=O)C3=CC=C(O3)[N+](=O)[O-])Cl)N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OCCN2CCC(CC2)CNC(=O)C3=CC=C(O3)[N+](=O)[O-])Cl)N

InChI

InChI=1S/C21H25ClN4O7/c1-31-18-11-16(23)15(22)10-14(18)21(28)32-9-8-25-6-4-13(5-7-25)12-24-20(27)17-2-3-19(33-17)26(29)30/h2-3,10-11,13H,4-9,12,23H2,1H3,(H,24,27)