5-nitro-7-[(E,1R)-3-phenyl-1-(propanoylamino)prop-2-enyl]quinolin-8-olate

Systemtic Name: 5-nitro-7-[(E,1R)-3-phenyl-1-(propanoylamino)prop-2-enyl]quinolin-8-olate Openeye Name: 5-nitro-7-[(E,1R)-3-phenyl-1-(propanoylamino)allyl]quinolin-8-olate CAS Name: 5-nitro-7-[(E,1R)-1-(1-oxopropylamino)-3-phenylprop-2-enyl]-8-quinolinolate IUPAC Name: 5-nitro-7-[(E,1R)-3-phenyl-1-(propanoylamino)prop-2-enyl]quinolin-8-olate Traditional Name: 5-nitro-7-[(E,1R)-3-phenyl-1-propionamido-allyl]quinolin-8-olate Formula: C21H18N3O4- MolecularWeight: 376.38532

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(C=CC1=CC=CC=C1)C2=CC(=C3C=CC=NC3=C2[O-])[N+](=O)[O-]

Isomeric SMILES

CCC(=O)N[C@H](/C=C/C1=CC=CC=C1)C2=CC(=C3C=CC=NC3=C2[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O4/c1-2-19(25)23-17(11-10-14-7-4-3-5-8-14)16-13-18(24(27)28)15-9-6-12-22-20(15)21(16)26/h3-13,17,26H,2H2,1H3,(H,23,25)/p-1/b11-10+/t17-/m1/s1