1-hexyl-3-methoxy-7-nitro-2-oxidanyl-quinolin-4-one

Systemtic Name: 1-hexyl-3-methoxy-7-nitro-2-oxidanyl-quinolin-4-one Openeye Name: 1-hexyl-2-hydroxy-3-methoxy-7-nitro-quinolin-4-one CAS Name: 1-hexyl-2-hydroxy-3-methoxy-7-nitro-4-quinolinone IUPAC Name: 1-hexyl-2-hydroxy-3-methoxy-7-nitroquinolin-4-one Traditional Name: 1-hexyl-2-hydroxy-3-methoxy-7-nitro-4-quinolone Formula: C16H20N2O5 MolecularWeight: 320.3404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(C=CC(=C2)[N+](=O)[O-])C(=O)C(=C1O)OC

Isomeric SMILES

CCCCCCN1C2=C(C=CC(=C2)[N+](=O)[O-])C(=O)C(=C1O)OC

InChI

InChI=1S/C16H20N2O5/c1-3-4-5-6-9-17-13-10-11(18(21)22)7-8-12(13)14(19)15(23-2)16(17)20/h7-8,10,20H,3-6,9H2,1-2H3