6-nitro-N-[(2S)-2-oxidanylbutyl]-2-oxidanylidene-chromene-3-carboxamide

Systemtic Name: 6-nitro-N-[(2S)-2-oxidanylbutyl]-2-oxidanylidene-chromene-3-carboxamide Openeye Name: N-[(2S)-2-hydroxybutyl]-6-nitro-2-oxo-chromene-3-carboxamide CAS Name: N-[(2S)-2-hydroxybutyl]-6-nitro-2-oxo-1-benzopyran-3-carboxamide IUPAC Name: N-[(2S)-2-hydroxybutyl]-6-nitro-2-oxochromene-3-carboxamide Traditional Name: N-[(2S)-2-hydroxybutyl]-2-keto-6-nitro-chromene-3-carboxamide Formula: C14H14N2O6 MolecularWeight: 306.27076

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C1=CC2=C(C=CC(=C2)[N+](=O)[O-])OC1=O)O

Isomeric SMILES

CC[C@@H](CNC(=O)C1=CC2=C(C=CC(=C2)[N+](=O)[O-])OC1=O)O

InChI

InChI=1S/C14H14N2O6/c1-2-10(17)7-15-13(18)11-6-8-5-9(16(20)21)3-4-12(8)22-14(11)19/h3-6,10,17H,2,7H2,1H3,(H,15,18)/t10-/m0/s1