2-[[[4-chloranyl-2-(2-oxidanylidenepyrrolidin-1-yl)phenyl]carbonylamino]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[[4-chloranyl-2-(2-oxidanylidenepyrrolidin-1-yl)phenyl]carbonylamino]methyl]-4-nitro-phenolate Openeye Name: 2-[[[4-chloro-2-(2-oxopyrrolidin-1-yl)benzoyl]amino]methyl]-4-nitro-phenolate CAS Name: 2-[[[[4-chloro-2-(2-oxo-1-pyrrolidinyl)phenyl]-oxomethyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[[4-chloro-2-(2-oxopyrrolidin-1-yl)benzoyl]amino]methyl]-4-nitrophenolate Traditional Name: 2-[[[4-chloro-2-(2-ketopyrrolidino)benzoyl]amino]methyl]-4-nitro-phenolate Formula: C18H15ClN3O5- MolecularWeight: 388.7818

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=C(C=CC(=C2)Cl)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

C1CC(=O)N(C1)C2=C(C=CC(=C2)Cl)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C18H16ClN3O5/c19-12-3-5-14(15(9-12)21-7-1-2-17(21)24)18(25)20-10-11-8-13(22(26)27)4-6-16(11)23/h3-6,8-9,23H,1-2,7,10H2,(H,20,25)/p-1