methyl 4-methyl-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]oxymethyl]quinoline-3-carboxylate

Systemtic Name: methyl 4-methyl-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]oxymethyl]quinoline-3-carboxylate Openeye Name: methyl 4-methyl-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]oxymethyl]quinoline-3-carboxylate CAS Name: 4-methyl-2-[[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enoxy]methyl]-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]oxymethyl]quinoline-3-carboxylate Traditional Name: 4-methyl-2-[[(E)-3-(3-nitrophenyl)acryloyl]oxymethyl]quinoline-3-carboxylic acid methyl ester Formula: C22H18N2O6 MolecularWeight: 406.38812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)COC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H18N2O6/c1-14-17-8-3-4-9-18(17)23-19(21(14)22(26)29-2)13-30-20(25)11-10-15-6-5-7-16(12-15)24(27)28/h3-12H,13H2,1-2H3/b11-10+