1-[4-(3-nitro-4-phenylmethoxy-phenyl)-1,3-thiazol-2-yl]pyrrole-2-carbaldehyde

Systemtic Name: 1-[4-(3-nitro-4-phenylmethoxy-phenyl)-1,3-thiazol-2-yl]pyrrole-2-carbaldehyde Openeye Name: 1-[4-(4-benzyloxy-3-nitro-phenyl)thiazol-2-yl]pyrrole-2-carbaldehyde CAS Name: 1-[4-(3-nitro-4-phenylmethoxyphenyl)-2-thiazolyl]-2-pyrrolecarboxaldehyde IUPAC Name: 1-[4-(3-nitro-4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]pyrrole-2-carbaldehyde Traditional Name: 1-[4-(4-benzoxy-3-nitro-phenyl)thiazol-2-yl]pyrrole-2-carbaldehyde Formula: C21H15N3O4S MolecularWeight: 405.4265

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C=C2)C3=CSC(=N3)N4C=CC=C4C=O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)C3=CSC(=N3)N4C=CC=C4C=O)[N+](=O)[O-]

InChI

InChI=1S/C21H15N3O4S/c25-12-17-7-4-10-23(17)21-22-18(14-29-21)16-8-9-20(19(11-16)24(26)27)28-13-15-5-2-1-3-6-15/h1-12,14H,13H2