5-[[1-(3-chlorophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methylamino]-6-nitro-1,3-dihydrobenzimidazol-2-one

Systemtic Name: 5-[[1-(3-chlorophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methylamino]-6-nitro-1,3-dihydrobenzimidazol-2-one Openeye Name: 5-[[1-(3-chlorophenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]methylamino]-6-nitro-1,3-dihydrobenzimidazol-2-one CAS Name: 5-[[1-(3-chlorophenyl)-3-methyl-5-oxo-4-pyrazolylidene]methylamino]-6-nitro-1,3-dihydrobenzimidazol-2-one IUPAC Name: 5-[[1-(3-chlorophenyl)-3-methyl-5-oxopyrazol-4-ylidene]methylamino]-6-nitro-1,3-dihydrobenzimidazol-2-one Traditional Name: 5-[[1-(3-chlorophenyl)-5-keto-3-methyl-2-pyrazolin-4-ylidene]methylamino]-6-nitro-1,3-dihydrobenzimidazol-2-one Formula: C18H13ClN6O4 MolecularWeight: 412.78662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CNC2=C(C=C3C(=C2)NC(=O)N3)[N+](=O)[O-])C4=CC(=CC=C4)Cl

Isomeric SMILES

CC1=NN(C(=O)C1=CNC2=C(C=C3C(=C2)NC(=O)N3)[N+](=O)[O-])C4=CC(=CC=C4)Cl

InChI

InChI=1S/C18H13ClN6O4/c1-9-12(17(26)24(23-9)11-4-2-3-10(19)5-11)8-20-15-6-13-14(22-18(27)21-13)7-16(15)25(28)29/h2-8,20H,1H3,(H2,21,22,27)