[2-[(3S)-5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] 4-azanyl-3-nitro-benzoate

Systemtic Name: [2-[(3S)-5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] 4-azanyl-3-nitro-benzoate Openeye Name: [2-[(3S)-5-(2-naphthyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl] 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid [2-[(3S)-5-(2-naphthalenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] ester IUPAC Name: [2-[(3S)-5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid [2-keto-2-[(5S)-3-(2-naphthyl)-5-phenyl-2-pyrazolin-1-yl]ethyl] ester Formula: C28H22N4O5 MolecularWeight: 494.49808

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC3=CC=CC=C3C=C2)C(=O)COC(=O)C4=CC(=C(C=C4)N)[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

C1[C@H](N(N=C1C2=CC3=CC=CC=C3C=C2)C(=O)COC(=O)C4=CC(=C(C=C4)N)[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C28H22N4O5/c29-23-13-12-22(15-26(23)32(35)36)28(34)37-17-27(33)31-25(19-7-2-1-3-8-19)16-24(30-31)21-11-10-18-6-4-5-9-20(18)14-21/h1-15,25H,16-17,29H2/t25-/m0/s1