ethyl 3-nitro-5-[(3-pyrrolidin-1-ylcarbonylphenyl)methylcarbamoyl]benzoate

Systemtic Name: ethyl 3-nitro-5-[(3-pyrrolidin-1-ylcarbonylphenyl)methylcarbamoyl]benzoate Openeye Name: ethyl 3-nitro-5-[[3-(pyrrolidine-1-carbonyl)phenyl]methylcarbamoyl]benzoate CAS Name: 3-nitro-5-[oxo-[[3-[oxo(1-pyrrolidinyl)methyl]phenyl]methylamino]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-nitro-5-[[3-(pyrrolidine-1-carbonyl)phenyl]methylcarbamoyl]benzoate Traditional Name: 3-nitro-5-[[3-(pyrrolidine-1-carbonyl)benzyl]carbamoyl]benzoic acid ethyl ester Formula: C22H23N3O6 MolecularWeight: 425.43452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O6/c1-2-31-22(28)18-11-17(12-19(13-18)25(29)30)20(26)23-14-15-6-5-7-16(10-15)21(27)24-8-3-4-9-24/h5-7,10-13H,2-4,8-9,14H2,1H3,(H,23,26)