4-chloranyl-3-nitro-N-[1-(4-pyrrol-1-ylphenyl)ethyl]-1H-pyrazole-5-carboxamide

Systemtic Name: 4-chloranyl-3-nitro-N-[1-(4-pyrrol-1-ylphenyl)ethyl]-1H-pyrazole-5-carboxamide Openeye Name: 4-chloro-3-nitro-N-[1-(4-pyrrol-1-ylphenyl)ethyl]-1H-pyrazole-5-carboxamide CAS Name: 4-chloro-3-nitro-N-[1-[4-(1-pyrrolyl)phenyl]ethyl]-1H-pyrazole-5-carboxamide IUPAC Name: 4-chloro-3-nitro-N-[1-(4-pyrrol-1-ylphenyl)ethyl]-1H-pyrazole-5-carboxamide Traditional Name: 4-chloro-3-nitro-N-[1-(4-pyrrol-1-ylphenyl)ethyl]-1H-pyrazole-5-carboxamide Formula: C16H14ClN5O3 MolecularWeight: 359.76706

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)N2C=CC=C2)NC(=O)C3=C(C(=NN3)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C1=CC=C(C=C1)N2C=CC=C2)NC(=O)C3=C(C(=NN3)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H14ClN5O3/c1-10(11-4-6-12(7-5-11)21-8-2-3-9-21)18-16(23)14-13(17)15(20-19-14)22(24)25/h2-10H,1H3,(H,18,23)(H,19,20)