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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O4/c1-14(2)22(27)24-18(11-10-15-7-4-3-5-8-15)17-13-19(25(28)29)16-9-6-12-23-20(16)21(17)26/h3-14,18,26H,1-2H3,(H,24,27)/p-1/b11-10+/t18-/m1/s1