3-cyanopropyl 2-morpholin-4-yl-5-nitro-benzoate

Systemtic Name: 3-cyanopropyl 2-morpholin-4-yl-5-nitro-benzoate Openeye Name: 3-cyanopropyl 2-morpholino-5-nitro-benzoate CAS Name: 2-(4-morpholinyl)-5-nitrobenzoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 2-morpholin-4-yl-5-nitrobenzoate Traditional Name: 2-morpholino-5-nitro-benzoic acid 3-cyanopropyl ester Formula: C15H17N3O5 MolecularWeight: 319.31258

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCCCC#N

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCCCC#N

InChI

InChI=1S/C15H17N3O5/c16-5-1-2-8-23-15(19)13-11-12(18(20)21)3-4-14(13)17-6-9-22-10-7-17/h3-4,11H,1-2,6-10H2