[(1R)-1-[(3S)-3-azido-4-oxidanylidene-2H-chromen-3-yl]propyl] 4-nitrobenzoate

Systemtic Name: [(1R)-1-[(3S)-3-azido-4-oxidanylidene-2H-chromen-3-yl]propyl] 4-nitrobenzoate Openeye Name: [(1R)-1-[(3S)-3-azido-4-oxo-chroman-3-yl]propyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(1R)-1-[(3S)-3-azido-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl]propyl] ester IUPAC Name: [(1R)-1-[(3S)-3-azido-4-oxo-2H-chromen-3-yl]propyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(1R)-1-[(3S)-3-azido-4-keto-chroman-3-yl]propyl] ester Formula: C19H16N4O6 MolecularWeight: 396.35354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1(COC2=CC=CC=C2C1=O)N=[N+]=[N-])OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC[C@H]([C@]1(COC2=CC=CC=C2C1=O)N=[N+]=[N-])OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H16N4O6/c1-2-16(29-18(25)12-7-9-13(10-8-12)23(26)27)19(21-22-20)11-28-15-6-4-3-5-14(15)17(19)24/h3-10,16H,2,11H2,1H3/t16-,19+/m1/s1