methyl 3-nitro-5-[(4-pyrrolidin-1-ylcarbonylphenyl)methylcarbamoyl]benzoate

Systemtic Name: methyl 3-nitro-5-[(4-pyrrolidin-1-ylcarbonylphenyl)methylcarbamoyl]benzoate Openeye Name: methyl 3-nitro-5-[[4-(pyrrolidine-1-carbonyl)phenyl]methylcarbamoyl]benzoate CAS Name: 3-nitro-5-[oxo-[[4-[oxo(1-pyrrolidinyl)methyl]phenyl]methylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-5-[[4-(pyrrolidine-1-carbonyl)phenyl]methylcarbamoyl]benzoate Traditional Name: 3-nitro-5-[[4-(pyrrolidine-1-carbonyl)benzyl]carbamoyl]benzoic acid methyl ester Formula: C21H21N3O6 MolecularWeight: 411.40794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O6/c1-30-21(27)17-10-16(11-18(12-17)24(28)29)19(25)22-13-14-4-6-15(7-5-14)20(26)23-8-2-3-9-23/h4-7,10-12H,2-3,8-9,13H2,1H3,(H,22,25)