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

Systemtic Name: 7-[(E,1R)-1-(butanoylamino)-3-phenyl-prop-2-enyl]-5-nitro-quinolin-8-olate Openeye Name: 7-[(E,1R)-1-(butanoylamino)-3-phenyl-allyl]-5-nitro-quinolin-8-olate CAS Name: 5-nitro-7-[(E,1R)-1-(1-oxobutylamino)-3-phenylprop-2-enyl]-8-quinolinolate IUPAC Name: 7-[(E,1R)-1-(butanoylamino)-3-phenylprop-2-enyl]-5-nitroquinolin-8-olate Traditional Name: 7-[(E,1R)-1-butyramido-3-phenyl-allyl]-5-nitro-quinolin-8-olate Formula: C22H20N3O4- MolecularWeight: 390.4119

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O4/c1-2-7-20(26)24-18(12-11-15-8-4-3-5-9-15)17-14-19(25(28)29)16-10-6-13-23-21(16)22(17)27/h3-6,8-14,18,27H,2,7H2,1H3,(H,24,26)/p-1/b12-11+/t18-/m1/s1