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

Systemtic Name: methyl 4-methyl-2-[[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]oxymethyl]quinoline-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H16N2O7 MolecularWeight: 396.35024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)COC(=O)C=CC3=CC=C(O3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)COC(=O)/C=C/C3=CC=C(O3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C20H16N2O7/c1-12-14-5-3-4-6-15(14)21-16(19(12)20(24)27-2)11-28-18(23)10-8-13-7-9-17(29-13)22(25)26/h3-10H,11H2,1-2H3/b10-8+