2-[[3-chloranyl-2-(2-nitrophenyl)-4-oxidanylidene-azetidin-1-yl]amino]-4-(4-chlorophenyl)-1-methyl-6-oxidanylidene-pyrimidine-5-carbonitrile

Systemtic Name: 2-[[3-chloranyl-2-(2-nitrophenyl)-4-oxidanylidene-azetidin-1-yl]amino]-4-(4-chlorophenyl)-1-methyl-6-oxidanylidene-pyrimidine-5-carbonitrile Openeye Name: 2-[[3-chloro-2-(2-nitrophenyl)-4-oxo-azetidin-1-yl]amino]-4-(4-chlorophenyl)-1-methyl-6-oxo-pyrimidine-5-carbonitrile CAS Name: 2-[[3-chloro-2-(2-nitrophenyl)-4-oxo-1-azetidinyl]amino]-4-(4-chlorophenyl)-1-methyl-6-oxo-5-pyrimidinecarbonitrile IUPAC Name: 2-[[3-chloro-2-(2-nitrophenyl)-4-oxoazetidin-1-yl]amino]-4-(4-chlorophenyl)-1-methyl-6-oxopyrimidine-5-carbonitrile Traditional Name: 2-[[3-chloro-2-keto-4-(2-nitrophenyl)azetidin-1-yl]amino]-4-(4-chlorophenyl)-6-keto-1-methyl-pyrimidine-5-carbonitrile Formula: C21H14Cl2N6O4 MolecularWeight: 485.27966

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(N=C1NN2C(C(C2=O)Cl)C3=CC=CC=C3[N+](=O)[O-])C4=CC=C(C=C4)Cl)C#N

Isomeric SMILES

CN1C(=O)C(=C(N=C1NN2C(C(C2=O)Cl)C3=CC=CC=C3[N+](=O)[O-])C4=CC=C(C=C4)Cl)C#N

InChI

InChI=1S/C21H14Cl2N6O4/c1-27-19(30)14(10-24)17(11-6-8-12(22)9-7-11)25-21(27)26-28-18(16(23)20(28)31)13-4-2-3-5-15(13)29(32)33/h2-9,16,18H,1H3,(H,25,26)