furan-2-yl-[(3S)-5-(3-methoxyphenyl)-3-(3-nitrophenyl)-3,4-dihydropyrazol-2-yl]methanone

Systemtic Name: furan-2-yl-[(3S)-5-(3-methoxyphenyl)-3-(3-nitrophenyl)-3,4-dihydropyrazol-2-yl]methanone Openeye Name: 2-furyl-[(3S)-5-(3-methoxyphenyl)-3-(3-nitrophenyl)-3,4-dihydropyrazol-2-yl]methanone CAS Name: 2-furanyl-[(3S)-5-(3-methoxyphenyl)-3-(3-nitrophenyl)-3,4-dihydropyrazol-2-yl]methanone IUPAC Name: furan-2-yl-[(3S)-5-(3-methoxyphenyl)-3-(3-nitrophenyl)-3,4-dihydropyrazol-2-yl]methanone Traditional Name: 2-furyl-[(5S)-3-(3-methoxyphenyl)-5-(3-nitrophenyl)-2-pyrazolin-1-yl]methanone Formula: C21H17N3O5 MolecularWeight: 391.37678

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN(C(C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C4=CC=CO4

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN([C@@H](C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C4=CC=CO4

InChI

InChI=1S/C21H17N3O5/c1-28-17-8-3-5-14(12-17)18-13-19(15-6-2-7-16(11-15)24(26)27)23(22-18)21(25)20-9-4-10-29-20/h2-12,19H,13H2,1H3/t19-/m0/s1