methyl 3-nitro-5-[[3-(2-oxidanylidene-2-pyrrolidin-1-yl-ethoxy)phenyl]carbamoyl]benzoate

Systemtic Name: methyl 3-nitro-5-[[3-(2-oxidanylidene-2-pyrrolidin-1-yl-ethoxy)phenyl]carbamoyl]benzoate Openeye Name: methyl 3-nitro-5-[[3-(2-oxo-2-pyrrolidin-1-yl-ethoxy)phenyl]carbamoyl]benzoate CAS Name: 3-nitro-5-[oxo-[3-[2-oxo-2-(1-pyrrolidinyl)ethoxy]anilino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-5-[[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]carbamoyl]benzoate Traditional Name: 3-[[3-(2-keto-2-pyrrolidino-ethoxy)phenyl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C21H21N3O7 MolecularWeight: 427.40734

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC(=CC=C2)OCC(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC(=CC=C2)OCC(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O7/c1-30-21(27)15-9-14(10-17(11-15)24(28)29)20(26)22-16-5-4-6-18(12-16)31-13-19(25)23-7-2-3-8-23/h4-6,9-12H,2-3,7-8,13H2,1H3,(H,22,26)