ethyl 3-[(1-ethylbenzimidazol-2-yl)methylcarbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[(1-ethylbenzimidazol-2-yl)methylcarbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[(1-ethylbenzimidazol-2-yl)methylcarbamoyl]-5-nitro-benzoate CAS Name: 3-[[(1-ethyl-2-benzimidazolyl)methylamino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[(1-ethylbenzimidazol-2-yl)methylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[(1-ethylbenzimidazol-2-yl)methylcarbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C20H20N4O5 MolecularWeight: 396.3966

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N=C1CNC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCN1C2=CC=CC=C2N=C1CNC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C20H20N4O5/c1-3-23-17-8-6-5-7-16(17)22-18(23)12-21-19(25)13-9-14(20(26)29-4-2)11-15(10-13)24(27)28/h5-11H,3-4,12H2,1-2H3,(H,21,25)