2-[5-morpholin-4-yl-4-(phenylmethyl)-4,5-dihydro-1,2,3-triazol-1-yl]-5-nitro-benzaldehyde

Systemtic Name: 2-[5-morpholin-4-yl-4-(phenylmethyl)-4,5-dihydro-1,2,3-triazol-1-yl]-5-nitro-benzaldehyde Openeye Name: 2-(4-benzyl-5-morpholino-4,5-dihydrotriazol-1-yl)-5-nitro-benzaldehyde CAS Name: 2-[5-(4-morpholinyl)-4-(phenylmethyl)-4,5-dihydrotriazol-1-yl]-5-nitrobenzaldehyde IUPAC Name: 2-(4-benzyl-5-morpholin-4-yl-4,5-dihydrotriazol-1-yl)-5-nitrobenzaldehyde Traditional Name: 2-(4-benzyl-5-morpholino-4,5-dihydrotriazol-1-yl)-5-nitro-benzaldehyde Formula: C20H21N5O4 MolecularWeight: 395.41184

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2C(N=NN2C3=C(C=C(C=C3)[N+](=O)[O-])C=O)CC4=CC=CC=C4

Isomeric SMILES

C1COCCN1C2C(N=NN2C3=C(C=C(C=C3)[N+](=O)[O-])C=O)CC4=CC=CC=C4

InChI

InChI=1S/C20H21N5O4/c26-14-16-13-17(25(27)28)6-7-19(16)24-20(23-8-10-29-11-9-23)18(21-22-24)12-15-4-2-1-3-5-15/h1-7,13-14,18,20H,8-12H2