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

Systemtic Name: 3-cyanopropyl 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: 3-cyanopropyl 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-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)C(=O)OCCCC#N)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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