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

Systemtic Name: N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide Openeye Name: N-[(4S)-chroman-4-yl]-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide CAS Name: N-[(4S)-3,4-dihydro-2H-1-benzopyran-4-yl]-4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]benzamide IUPAC Name: N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide Traditional Name: N-[(4S)-chroman-4-yl]-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC3CCOC4=CC=CC=C34)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)N[C@H]3CCOC4=CC=CC=C34)C)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O4/c1-14-21(26(28)29)15(2)25(24-14)13-16-7-9-17(10-8-16)22(27)23-19-11-12-30-20-6-4-3-5-18(19)20/h3-10,19H,11-13H2,1-2H3,(H,23,27)/t19-/m0/s1