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

Systemtic Name: 3-methoxy-4-nitro-N-[1-(3-pyrrol-1-ylphenyl)ethyl]-1H-pyrazole-5-carboxamide Openeye Name: 3-methoxy-4-nitro-N-[1-(3-pyrrol-1-ylphenyl)ethyl]-1H-pyrazole-5-carboxamide CAS Name: 3-methoxy-4-nitro-N-[1-[3-(1-pyrrolyl)phenyl]ethyl]-1H-pyrazole-5-carboxamide IUPAC Name: 3-methoxy-4-nitro-N-[1-(3-pyrrol-1-ylphenyl)ethyl]-1H-pyrazole-5-carboxamide Traditional Name: 3-methoxy-4-nitro-N-[1-(3-pyrrol-1-ylphenyl)ethyl]-1H-pyrazole-5-carboxamide Formula: C17H17N5O4 MolecularWeight: 355.34798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N5O4/c1-11(12-6-5-7-13(10-12)21-8-3-4-9-21)18-16(23)14-15(22(24)25)17(26-2)20-19-14/h3-11H,1-2H3,(H,18,23)(H,19,20)