2-[(1S)-1,2-diphenylpropoxy]carbonyl-3-nitro-benzoic acid

Systemtic Name: 2-[(1S)-1,2-diphenylpropoxy]carbonyl-3-nitro-benzoic acid Openeye Name: 2-[(1S)-1,2-diphenylpropoxy]carbonyl-3-nitro-benzoic acid CAS Name: 2-[[(1S)-1,2-diphenylpropoxy]-oxomethyl]-3-nitrobenzoic acid IUPAC Name: 2-[(1S)-1,2-diphenylpropoxy]carbonyl-3-nitrobenzoic acid Traditional Name: 2-[(1S)-1,2-diphenylpropoxy]carbonyl-3-nitro-benzoic acid Formula: C23H19NO6 MolecularWeight: 405.40006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)C(C2=CC=CC=C2)OC(=O)C3=C(C=CC=C3[N+](=O)[O-])C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C23H19NO6/c1-15(16-9-4-2-5-10-16)21(17-11-6-3-7-12-17)30-23(27)20-18(22(25)26)13-8-14-19(20)24(28)29/h2-15,21H,1H3,(H,25,26)/t15?,21-/m0/s1