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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC)N3CCCC3=O

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC)N3CCCC3=O

InChI

InChI=1S/C20H19N3O6/c1-12-8-15(5-6-17(12)22-7-3-4-18(22)24)21-19(25)13-9-14(20(26)29-2)11-16(10-13)23(27)28/h5-6,8-11H,3-4,7H2,1-2H3,(H,21,25)