(4-nitrophenyl)methyl (3S)-6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate

Systemtic Name: (4-nitrophenyl)methyl (3S)-6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate Openeye Name: (4-nitrophenyl)methyl (3S)-6-chlorochromane-3-carboxylate CAS Name: (3S)-6-chloro-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (3S)-6-chloro-3,4-dihydro-2H-chromene-3-carboxylate Traditional Name: (3S)-6-chlorochroman-3-carboxylic acid (4-nitrobenzyl) ester Formula: C17H14ClNO5 MolecularWeight: 347.74976

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Descriptors Computed from Structure

Canonical SMILES:

C1C(COC2=C1C=C(C=C2)Cl)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1[C@@H](COC2=C1C=C(C=C2)Cl)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H14ClNO5/c18-14-3-6-16-12(8-14)7-13(10-23-16)17(20)24-9-11-1-4-15(5-2-11)19(21)22/h1-6,8,13H,7,9-10H2/t13-/m0/s1