4-chloranyl-5-nitro-6-[(E)-1-phenyl-2-pyrrolidin-1-yl-ethenyl]pyrimidine

Systemtic Name: 4-chloranyl-5-nitro-6-[(E)-1-phenyl-2-pyrrolidin-1-yl-ethenyl]pyrimidine Openeye Name: 4-chloro-5-nitro-6-[(E)-1-phenyl-2-pyrrolidin-1-yl-vinyl]pyrimidine CAS Name: 4-chloro-5-nitro-6-[(E)-1-phenyl-2-(1-pyrrolidinyl)ethenyl]pyrimidine IUPAC Name: 4-chloro-5-nitro-6-[(E)-1-phenyl-2-pyrrolidin-1-ylethenyl]pyrimidine Traditional Name: 4-chloro-5-nitro-6-[(E)-1-phenyl-2-pyrrolidino-vinyl]pyrimidine Formula: C16H15ClN4O2 MolecularWeight: 330.7689

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C=C(C2=CC=CC=C2)C3=C(C(=NC=N3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)/C=C(\C2=CC=CC=C2)/C3=C(C(=NC=N3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H15ClN4O2/c17-16-15(21(22)23)14(18-11-19-16)13(10-20-8-4-5-9-20)12-6-2-1-3-7-12/h1-3,6-7,10-11H,4-5,8-9H2/b13-10+