phenyl 4-morpholin-4-yl-3-nitro-benzoate

Systemtic Name: phenyl 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: phenyl 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid phenyl ester IUPAC Name: phenyl 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-nitro-benzoic acid phenyl ester Formula: C17H16N2O5 MolecularWeight: 328.31934

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(=O)OC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(=O)OC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O5/c20-17(24-14-4-2-1-3-5-14)13-6-7-15(16(12-13)19(21)22)18-8-10-23-11-9-18/h1-7,12H,8-11H2