[1-(2-oxidanylnaphthalen-1-yl)naphthalen-2-yl] 2-[(3,5-dinitrophenyl)carbonylamino]-2-phenyl-ethanoate

Systemtic Name: [1-(2-oxidanylnaphthalen-1-yl)naphthalen-2-yl] 2-[(3,5-dinitrophenyl)carbonylamino]-2-phenyl-ethanoate Openeye Name: [1-(2-hydroxy-1-naphthyl)-2-naphthyl] 2-[(3,5-dinitrobenzoyl)amino]-2-phenyl-acetate CAS Name: 2-[[(3,5-dinitrophenyl)-oxomethyl]amino]-2-phenylacetic acid [1-(2-hydroxy-1-naphthalenyl)-2-naphthalenyl] ester IUPAC Name: [1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] 2-[(3,5-dinitrobenzoyl)amino]-2-phenylacetate Traditional Name: 2-[(3,5-dinitrobenzoyl)amino]-2-phenyl-acetic acid [1-(2-hydroxy-1-naphthyl)-2-naphthyl] ester Formula: C35H23N3O8 MolecularWeight: 613.57242

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)OC2=C(C3=CC=CC=C3C=C2)C4=C(C=CC5=CC=CC=C54)O)NC(=O)C6=CC(=CC(=C6)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)OC2=C(C3=CC=CC=C3C=C2)C4=C(C=CC5=CC=CC=C54)O)NC(=O)C6=CC(=CC(=C6)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C35H23N3O8/c39-29-16-14-21-8-4-6-12-27(21)31(29)32-28-13-7-5-9-22(28)15-17-30(32)46-35(41)33(23-10-2-1-3-11-23)36-34(40)24-18-25(37(42)43)20-26(19-24)38(44)45/h1-20,33,39H,(H,36,40)