3-[(Z)-3-[(4-ethanoylphenyl)amino]but-2-enoyl]-1-methyl-2-oxidanyl-3H-quinolin-1-ium-4-one

Systemtic Name: 3-[(Z)-3-[(4-ethanoylphenyl)amino]but-2-enoyl]-1-methyl-2-oxidanyl-3H-quinolin-1-ium-4-one Openeye Name: 3-[(Z)-3-(4-acetylanilino)but-2-enoyl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one CAS Name: 3-[(Z)-3-(4-acetylanilino)-1-oxobut-2-enyl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one IUPAC Name: 3-[(Z)-3-(4-acetylanilino)but-2-enoyl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one Traditional Name: 3-[(Z)-3-(4-acetylanilino)but-2-enoyl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one Formula: C22H21N2O4+ MolecularWeight: 377.41314

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)C1C(=O)C2=CC=CC=C2[N+](=C1O)C)NC3=CC=C(C=C3)C(=O)C

Isomeric SMILES

C/C(=C/C(=O)C1C(=O)C2=CC=CC=C2[N+](=C1O)C)/NC3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C22H20N2O4/c1-13(23-16-10-8-15(9-11-16)14(2)25)12-19(26)20-21(27)17-6-4-5-7-18(17)24(3)22(20)28/h4-12,20H,1-3H3,(H,23,25,26)/p+1