methyl (4R)-2-azanyl-4-[(1R)-1-nitro-4-oxidanylidene-pentyl]-4H-chromene-3-carboxylate

Systemtic Name: methyl (4R)-2-azanyl-4-[(1R)-1-nitro-4-oxidanylidene-pentyl]-4H-chromene-3-carboxylate Openeye Name: methyl (4R)-2-amino-4-[(1R)-1-nitro-4-oxo-pentyl]-4H-chromene-3-carboxylate CAS Name: (4R)-2-amino-4-[(1R)-1-nitro-4-oxopentyl]-4H-1-benzopyran-3-carboxylic acid methyl ester IUPAC Name: methyl (4R)-2-amino-4-[(1R)-1-nitro-4-oxopentyl]-4H-chromene-3-carboxylate Traditional Name: (4R)-2-amino-4-[(1R)-4-keto-1-nitro-pentyl]-4H-chromene-3-carboxylic acid methyl ester Formula: C16H18N2O6 MolecularWeight: 334.32392

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC(C1C2=CC=CC=C2OC(=C1C(=O)OC)N)[N+](=O)[O-]

Isomeric SMILES

CC(=O)CC[C@H]([C@@H]1C2=CC=CC=C2OC(=C1C(=O)OC)N)[N+](=O)[O-]

InChI

InChI=1S/C16H18N2O6/c1-9(19)7-8-11(18(21)22)13-10-5-3-4-6-12(10)24-15(17)14(13)16(20)23-2/h3-6,11,13H,7-8,17H2,1-2H3/t11-,13+/m1/s1