5-[(3S)-5-(4-methoxyphenyl)-3-(3-nitrophenyl)-1,3-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[(3S)-5-(4-methoxyphenyl)-3-(3-nitrophenyl)-1,3-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[(3S)-5-(4-methoxyphenyl)-3-(3-nitrophenyl)-1,3-dihydropyrazol-2-yl]-5-oxo-pentanoic acid CAS Name: 5-[(3S)-5-(4-methoxyphenyl)-3-(3-nitrophenyl)-1,3-dihydropyrazol-2-yl]-5-oxopentanoic acid IUPAC Name: 5-[(3S)-5-(4-methoxyphenyl)-3-(3-nitrophenyl)-1,3-dihydropyrazol-2-yl]-5-oxopentanoic acid Traditional Name: 5-keto-5-[(5S)-3-(4-methoxyphenyl)-5-(3-nitrophenyl)-3-pyrazolin-1-yl]valeric acid Formula: C21H21N3O6 MolecularWeight: 411.40794

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(N(N2)C(=O)CCCC(=O)O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=C[C@H](N(N2)C(=O)CCCC(=O)O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O6/c1-30-17-10-8-14(9-11-17)18-13-19(15-4-2-5-16(12-15)24(28)29)23(22-18)20(25)6-3-7-21(26)27/h2,4-5,8-13,19,22H,3,6-7H2,1H3,(H,26,27)/t19-/m0/s1