1-methyl-3-[3-[(3-nitrophenyl)amino]-3-thiophen-2-yl-propanoyl]-2-oxidanyl-3H-quinolin-1-ium-4-one

Systemtic Name: 1-methyl-3-[3-[(3-nitrophenyl)amino]-3-thiophen-2-yl-propanoyl]-2-oxidanyl-3H-quinolin-1-ium-4-one Openeye Name: 2-hydroxy-1-methyl-3-[3-(3-nitroanilino)-3-(2-thienyl)propanoyl]-3H-quinolin-1-ium-4-one CAS Name: 2-hydroxy-1-methyl-3-[3-(3-nitroanilino)-1-oxo-3-thiophen-2-ylpropyl]-3H-quinolin-1-ium-4-one IUPAC Name: 2-hydroxy-1-methyl-3-[3-(3-nitroanilino)-3-thiophen-2-ylpropanoyl]-3H-quinolin-1-ium-4-one Traditional Name: 2-hydroxy-1-methyl-3-[3-(3-nitroanilino)-3-(2-thienyl)propanoyl]-3H-quinolin-1-ium-4-one Formula: C23H20N3O5S+ MolecularWeight: 450.487

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C(C(=O)C2=CC=CC=C21)C(=O)CC(C3=CC=CS3)NC4=CC(=CC=C4)[N+](=O)[O-])O

Isomeric SMILES

C[N+]1=C(C(C(=O)C2=CC=CC=C21)C(=O)CC(C3=CC=CS3)NC4=CC(=CC=C4)[N+](=O)[O-])O

InChI

InChI=1S/C23H19N3O5S/c1-25-18-9-3-2-8-16(18)22(28)21(23(25)29)19(27)13-17(20-10-5-11-32-20)24-14-6-4-7-15(12-14)26(30)31/h2-12,17,21,24H,13H2,1H3/p+1