2-(5-chloranyl-2-nitro-phenyl)-4-[4-(diethylamino)-2-methyl-phenyl]imino-5-methyl-pyrazol-3-one

Systemtic Name: 2-(5-chloranyl-2-nitro-phenyl)-4-[4-(diethylamino)-2-methyl-phenyl]imino-5-methyl-pyrazol-3-one Openeye Name: 2-(5-chloro-2-nitro-phenyl)-4-[4-(diethylamino)-2-methyl-phenyl]imino-5-methyl-pyrazol-3-one CAS Name: 2-(5-chloro-2-nitrophenyl)-4-[4-(diethylamino)-2-methylphenyl]imino-5-methyl-3-pyrazolone IUPAC Name: 2-(5-chloro-2-nitrophenyl)-4-[4-(diethylamino)-2-methylphenyl]imino-5-methylpyrazol-3-one Traditional Name: 2-(5-chloro-2-nitro-phenyl)-4-[4-(diethylamino)-2-methyl-phenyl]imino-5-methyl-2-pyrazolin-3-one Formula: C21H22ClN5O3 MolecularWeight: 427.88408

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)N=C2C(=NN(C2=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-])C)C

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1)N=C2C(=NN(C2=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-])C)C

InChI

InChI=1S/C21H22ClN5O3/c1-5-25(6-2)16-8-9-17(13(3)11-16)23-20-14(4)24-26(21(20)28)19-12-15(22)7-10-18(19)27(29)30/h7-12H,5-6H2,1-4H3