methyl 3-nitro-5-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methylcarbamoyl]benzoate

Systemtic Name: methyl 3-nitro-5-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methylcarbamoyl]benzoate Openeye Name: methyl 3-nitro-5-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylcarbamoyl]benzoate CAS Name: 3-nitro-5-[oxo-[[4-(2-oxo-1-pyrrolidinyl)phenyl]methylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-5-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylcarbamoyl]benzoate Traditional Name: 3-[[4-(2-ketopyrrolidino)benzyl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C20H19N3O6 MolecularWeight: 397.38136

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NCC2=CC=C(C=C2)N3CCCC3=O)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NCC2=CC=C(C=C2)N3CCCC3=O)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O6/c1-29-20(26)15-9-14(10-17(11-15)23(27)28)19(25)21-12-13-4-6-16(7-5-13)22-8-2-3-18(22)24/h4-7,9-11H,2-3,8,12H2,1H3,(H,21,25)