4-chloranyl-2-methyl-5-nitro-6-[(Z)-4-phenyl-2-pyrrolidin-1-yl-but-1-enyl]pyrimidine

Systemtic Name: 4-chloranyl-2-methyl-5-nitro-6-[(Z)-4-phenyl-2-pyrrolidin-1-yl-but-1-enyl]pyrimidine Openeye Name: 4-chloro-2-methyl-5-nitro-6-[(Z)-4-phenyl-2-pyrrolidin-1-yl-but-1-enyl]pyrimidine CAS Name: 4-chloro-2-methyl-5-nitro-6-[(Z)-4-phenyl-2-(1-pyrrolidinyl)but-1-enyl]pyrimidine IUPAC Name: 4-chloro-2-methyl-5-nitro-6-[(Z)-4-phenyl-2-pyrrolidin-1-ylbut-1-enyl]pyrimidine Traditional Name: 4-chloro-2-methyl-5-nitro-6-[(Z)-4-phenyl-2-pyrrolidino-but-1-enyl]pyrimidine Formula: C19H21ClN4O2 MolecularWeight: 372.84864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=N1)Cl)[N+](=O)[O-])C=C(CCC2=CC=CC=C2)N3CCCC3

Isomeric SMILES

CC1=NC(=C(C(=N1)Cl)[N+](=O)[O-])/C=C(/CCC2=CC=CC=C2)\N3CCCC3

InChI

InChI=1S/C19H21ClN4O2/c1-14-21-17(18(24(25)26)19(20)22-14)13-16(23-11-5-6-12-23)10-9-15-7-3-2-4-8-15/h2-4,7-8,13H,5-6,9-12H2,1H3/b16-13-