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

Systemtic Name: 4-chloranyl-6-[(Z)-4-(4-methoxyphenyl)-2-pyrrolidin-1-yl-but-1-enyl]-2-methyl-5-nitro-pyrimidine Openeye Name: 4-chloro-6-[(Z)-4-(4-methoxyphenyl)-2-pyrrolidin-1-yl-but-1-enyl]-2-methyl-5-nitro-pyrimidine CAS Name: 4-chloro-6-[(Z)-4-(4-methoxyphenyl)-2-(1-pyrrolidinyl)but-1-enyl]-2-methyl-5-nitropyrimidine IUPAC Name: 4-chloro-6-[(Z)-4-(4-methoxyphenyl)-2-pyrrolidin-1-ylbut-1-enyl]-2-methyl-5-nitropyrimidine Traditional Name: 4-chloro-6-[(Z)-4-(4-methoxyphenyl)-2-pyrrolidino-but-1-enyl]-2-methyl-5-nitro-pyrimidine Formula: C20H23ClN4O3 MolecularWeight: 402.87462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN4O3/c1-14-22-18(19(25(26)27)20(21)23-14)13-16(24-11-3-4-12-24)8-5-15-6-9-17(28-2)10-7-15/h6-7,9-10,13H,3-5,8,11-12H2,1-2H3/b16-13-