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

Systemtic Name: 3-[(Z)-3-[(4-aminophenyl)amino]but-2-enoyl]-1-methyl-2-oxidanyl-3H-quinolin-1-ium-4-one Openeye Name: 3-[(Z)-3-(4-aminoanilino)but-2-enoyl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one CAS Name: 3-[(Z)-3-(4-aminoanilino)-1-oxobut-2-enyl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one IUPAC Name: 3-[(Z)-3-(4-aminoanilino)but-2-enoyl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one Traditional Name: 3-[(Z)-3-(4-aminoanilino)but-2-enoyl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one Formula: C20H20N3O3+ MolecularWeight: 350.3911

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O3/c1-12(22-14-9-7-13(21)8-10-14)11-17(24)18-19(25)15-5-3-4-6-16(15)23(2)20(18)26/h3-11,18H,21H2,1-2H3,(H,22,24)/p+1