2-[(2S,3R,4S)-2-(4-chlorophenyl)-3-nitro-3,4-dihydro-2H-chromen-4-yl]ethanal

Systemtic Name: 2-[(2S,3R,4S)-2-(4-chlorophenyl)-3-nitro-3,4-dihydro-2H-chromen-4-yl]ethanal Openeye Name: 2-[(2S,3R,4S)-2-(4-chlorophenyl)-3-nitro-chroman-4-yl]acetaldehyde CAS Name: 2-[(2S,3R,4S)-2-(4-chlorophenyl)-3-nitro-3,4-dihydro-2H-1-benzopyran-4-yl]acetaldehyde IUPAC Name: 2-[(2S,3R,4S)-2-(4-chlorophenyl)-3-nitro-3,4-dihydro-2H-chromen-4-yl]acetaldehyde Traditional Name: 2-[(2S,3R,4S)-2-(4-chlorophenyl)-3-nitro-chroman-4-yl]acetaldehyde Formula: C17H14ClNO4 MolecularWeight: 331.75036

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C(C(O2)C3=CC=C(C=C3)Cl)[N+](=O)[O-])CC=O

Isomeric SMILES

C1=CC=C2C(=C1)[C@@H]([C@H]([C@@H](O2)C3=CC=C(C=C3)Cl)[N+](=O)[O-])CC=O

InChI

InChI=1S/C17H14ClNO4/c18-12-7-5-11(6-8-12)17-16(19(21)22)14(9-10-20)13-3-1-2-4-15(13)23-17/h1-8,10,14,16-17H,9H2/t14-,16+,17-/m0/s1