methyl (2S)-6-nitro-2-piperidin-1-yl-2H-chromene-3-carboxylate

Systemtic Name: methyl (2S)-6-nitro-2-piperidin-1-yl-2H-chromene-3-carboxylate Openeye Name: methyl (2S)-6-nitro-2-(1-piperidyl)-2H-chromene-3-carboxylate CAS Name: (2S)-6-nitro-2-(1-piperidinyl)-2H-1-benzopyran-3-carboxylic acid methyl ester IUPAC Name: methyl (2S)-6-nitro-2-piperidin-1-yl-2H-chromene-3-carboxylate Traditional Name: (2S)-6-nitro-2-piperidino-2H-chromene-3-carboxylic acid methyl ester Formula: C16H18N2O5 MolecularWeight: 318.32452

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=CC(=C2)[N+](=O)[O-])OC1N3CCCCC3

Isomeric SMILES

COC(=O)C1=CC2=C(C=CC(=C2)[N+](=O)[O-])O[C@@H]1N3CCCCC3

InChI

InChI=1S/C16H18N2O5/c1-22-16(19)13-10-11-9-12(18(20)21)5-6-14(11)23-15(13)17-7-3-2-4-8-17/h5-6,9-10,15H,2-4,7-8H2,1H3/t15-/m0/s1