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

Systemtic Name: ethyl 3-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]carbonyl-5-nitro-benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C21H20N4O5 MolecularWeight: 408.4073

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O5/c1-2-30-21(27)14-10-13(11-15(12-14)25(28)29)20(26)24-9-5-8-18(24)19-22-16-6-3-4-7-17(16)23-19/h3-4,6-7,10-12,18H,2,5,8-9H2,1H3,(H,22,23)