4-[(E)-1-ethoxy-1-oxidanyl-3-oxidanylidene-but-1-en-2-yl]-3-nitro-1-phenyl-quinolin-2-one

Systemtic Name: 4-[(E)-1-ethoxy-1-oxidanyl-3-oxidanylidene-but-1-en-2-yl]-3-nitro-1-phenyl-quinolin-2-one Openeye Name: 4-[(1E)-1-[ethoxy(hydroxy)methylene]-2-oxo-propyl]-3-nitro-1-phenyl-quinolin-2-one CAS Name: 4-[(E)-1-ethoxy-1-hydroxy-3-oxobut-1-en-2-yl]-3-nitro-1-phenyl-2-quinolinone IUPAC Name: 4-[(E)-1-ethoxy-1-hydroxy-3-oxobut-1-en-2-yl]-3-nitro-1-phenylquinolin-2-one Traditional Name: 4-[(E)-1-acetyl-2-ethoxy-2-hydroxy-vinyl]-3-nitro-1-phenyl-carbostyril Formula: C21H18N2O6 MolecularWeight: 394.37742

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(C1=C(C(=O)N(C2=CC=CC=C21)C3=CC=CC=C3)[N+](=O)[O-])C(=O)C)O

Isomeric SMILES

CCO/C(=C(\C1=C(C(=O)N(C2=CC=CC=C21)C3=CC=CC=C3)[N+](=O)[O-])/C(=O)C)/O

InChI

InChI=1S/C21H18N2O6/c1-3-29-21(26)17(13(2)24)18-15-11-7-8-12-16(15)22(14-9-5-4-6-10-14)20(25)19(18)23(27)28/h4-12,26H,3H2,1-2H3/b21-17-