(4-aminocarbonyl-2-nitro-phenyl)methyl (E)-3-quinolin-2-ylprop-2-enoate

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl (E)-3-quinolin-2-ylprop-2-enoate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl (E)-3-(2-quinolyl)prop-2-enoate CAS Name: (E)-3-(2-quinolinyl)-2-propenoic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl (E)-3-quinolin-2-ylprop-2-enoate Traditional Name: (E)-3-(2-quinolyl)acrylic acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C20H15N3O5 MolecularWeight: 377.3502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)C=CC(=O)OCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)/C=C/C(=O)OCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C20H15N3O5/c21-20(25)14-5-6-15(18(11-14)23(26)27)12-28-19(24)10-9-16-8-7-13-3-1-2-4-17(13)22-16/h1-11H,12H2,(H2,21,25)/b10-9+