ethyl 4-methyl-2-[[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]oxymethyl]quinoline-3-carboxylate

Systemtic Name: ethyl 4-methyl-2-[[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]oxymethyl]quinoline-3-carboxylate Openeye Name: ethyl 4-methyl-2-[[(E)-3-(5-nitro-2-furyl)prop-2-enoyl]oxymethyl]quinoline-3-carboxylate CAS Name: 4-methyl-2-[[(E)-3-(5-nitro-2-furanyl)-1-oxoprop-2-enoxy]methyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]oxymethyl]quinoline-3-carboxylate Traditional Name: 4-methyl-2-[[(E)-3-(5-nitro-2-furyl)acryloyl]oxymethyl]quinoline-3-carboxylic acid ethyl ester Formula: C21H18N2O7 MolecularWeight: 410.37682

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N=C1COC(=O)C=CC3=CC=C(O3)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1COC(=O)/C=C/C3=CC=C(O3)[N+](=O)[O-])C

InChI

InChI=1S/C21H18N2O7/c1-3-28-21(25)20-13(2)15-6-4-5-7-16(15)22-17(20)12-29-19(24)11-9-14-8-10-18(30-14)23(26)27/h4-11H,3,12H2,1-2H3/b11-9+