1-[(2-chloranyl-4-nitro-phenoxy)methyl]-N-[1-(4-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide

Systemtic Name: 1-[(2-chloranyl-4-nitro-phenoxy)methyl]-N-[1-(4-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide Openeye Name: 1-[(2-chloro-4-nitro-phenoxy)methyl]-N-[1-(4-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide CAS Name: 1-[(2-chloro-4-nitrophenoxy)methyl]-N-[1-[4-(1-pyrrolyl)phenyl]ethyl]-3-pyrazolecarboxamide IUPAC Name: 1-[(2-chloro-4-nitrophenoxy)methyl]-N-[1-(4-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide Traditional Name: 1-[(2-chloro-4-nitro-phenoxy)methyl]-N-[1-(4-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide Formula: C23H20ClN5O4 MolecularWeight: 465.889

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)N2C=CC=C2)NC(=O)C3=NN(C=C3)COC4=C(C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C1=CC=C(C=C1)N2C=CC=C2)NC(=O)C3=NN(C=C3)COC4=C(C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C23H20ClN5O4/c1-16(17-4-6-18(7-5-17)27-11-2-3-12-27)25-23(30)21-10-13-28(26-21)15-33-22-9-8-19(29(31)32)14-20(22)24/h2-14,16H,15H2,1H3,(H,25,30)