methyl 3-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]carbonyl-5-nitro-benzoate

Systemtic Name: methyl 3-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]carbonyl-5-nitro-benzoate Openeye Name: methyl 3-[2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-5-nitro-benzoate CAS Name: 3-[[2-(1H-benzimidazol-2-yl)-1-pyrrolidinyl]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-5-nitrobenzoate Traditional Name: 3-[2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-5-nitro-benzoic acid methyl ester Formula: C20H18N4O5 MolecularWeight: 394.38072

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)N2CCCC2C3=NC4=CC=CC=C4N3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)N2CCCC2C3=NC4=CC=CC=C4N3)[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O5/c1-29-20(26)13-9-12(10-14(11-13)24(27)28)19(25)23-8-4-7-17(23)18-21-15-5-2-3-6-16(15)22-18/h2-3,5-6,9-11,17H,4,7-8H2,1H3,(H,21,22)