3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[(phenylmethyl)carbamoyl]propanamide

Systemtic Name: 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[(phenylmethyl)carbamoyl]propanamide Openeye Name: N-(benzylcarbamoyl)-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanamide CAS Name: 3-(3,5-dimethyl-4-nitro-1-pyrazolyl)-N-[oxo-[(phenylmethyl)amino]methyl]propanamide IUPAC Name: N-(benzylcarbamoyl)-3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide Traditional Name: N-(benzylcarbamoyl)-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propionamide Formula: C16H19N5O4 MolecularWeight: 345.35316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC(=O)NC(=O)NCC2=CC=CC=C2)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CCC(=O)NC(=O)NCC2=CC=CC=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C16H19N5O4/c1-11-15(21(24)25)12(2)20(19-11)9-8-14(22)18-16(23)17-10-13-6-4-3-5-7-13/h3-7H,8-10H2,1-2H3,(H2,17,18,22,23)