3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 2-(2-methoxyethylamino)-5-nitro-benzoate

Systemtic Name: 3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 2-(2-methoxyethylamino)-5-nitro-benzoate Openeye Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 2-(2-methoxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-methoxyethylamino)-5-nitrobenzoic acid 3-(2-oxo-3H-benzimidazol-1-yl)propyl ester IUPAC Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 2-(2-methoxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-methoxyethylamino)-5-nitro-benzoic acid 3-(2-keto-3H-benzimidazol-1-yl)propyl ester Formula: C20H22N4O6 MolecularWeight: 414.41188

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCCCN2C3=CC=CC=C3NC2=O

Isomeric SMILES

COCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCCCN2C3=CC=CC=C3NC2=O

InChI

InChI=1S/C20H22N4O6/c1-29-12-9-21-16-8-7-14(24(27)28)13-15(16)19(25)30-11-4-10-23-18-6-3-2-5-17(18)22-20(23)26/h2-3,5-8,13,21H,4,9-12H2,1H3,(H,22,26)