3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 4-morpholin-4-yl-3-nitro-benzoate

Systemtic Name: 3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid 3-(2-oxo-3H-benzimidazol-1-yl)propyl ester IUPAC Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-nitro-benzoic acid 3-(2-keto-3H-benzimidazol-1-yl)propyl ester Formula: C21H22N4O6 MolecularWeight: 426.42258

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(=O)OCCCN3C4=CC=CC=C4NC3=O)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(=O)OCCCN3C4=CC=CC=C4NC3=O)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O6/c26-20(31-11-3-8-24-17-5-2-1-4-16(17)22-21(24)27)15-6-7-18(19(14-15)25(28)29)23-9-12-30-13-10-23/h1-2,4-7,14H,3,8-13H2,(H,22,27)