N-[3-chloranyl-4-(diethylcarbamoyl)phenyl]-1-(3-nitrophenyl)pyrazole-3-carboxamide

Systemtic Name: N-[3-chloranyl-4-(diethylcarbamoyl)phenyl]-1-(3-nitrophenyl)pyrazole-3-carboxamide Openeye Name: N-[3-chloro-4-(diethylcarbamoyl)phenyl]-1-(3-nitrophenyl)pyrazole-3-carboxamide CAS Name: N-[3-chloro-4-[diethylamino(oxo)methyl]phenyl]-1-(3-nitrophenyl)-3-pyrazolecarboxamide IUPAC Name: N-[3-chloro-4-(diethylcarbamoyl)phenyl]-1-(3-nitrophenyl)pyrazole-3-carboxamide Traditional Name: N-[3-chloro-4-(diethylcarbamoyl)phenyl]-1-(3-nitrophenyl)pyrazole-3-carboxamide Formula: C21H20ClN5O4 MolecularWeight: 441.8676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN5O4/c1-3-25(4-2)21(29)17-9-8-14(12-18(17)22)23-20(28)19-10-11-26(24-19)15-6-5-7-16(13-15)27(30)31/h5-13H,3-4H2,1-2H3,(H,23,28)