N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanamide

Systemtic Name: N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanamide Openeye Name: N-[(4S)-chroman-4-yl]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetamide CAS Name: N-[(4S)-3,4-dihydro-2H-1-benzopyran-4-yl]-2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetamide IUPAC Name: N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide Traditional Name: N-[(4S)-chroman-4-yl]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetamide Formula: C16H18N4O4 MolecularWeight: 330.33852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NC2CCOC3=CC=CC=C23)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)N[C@H]2CCOC3=CC=CC=C23)C)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O4/c1-10-16(20(22)23)11(2)19(18-10)9-15(21)17-13-7-8-24-14-6-4-3-5-12(13)14/h3-6,13H,7-9H2,1-2H3,(H,17,21)/t13-/m0/s1