methyl 2-[(3-azanyl-2-phenyl-quinolin-4-yl)carbonylamino]-2-(1-oxidanidylpyridin-1-ium-3-yl)ethanoate

Systemtic Name: methyl 2-[(3-azanyl-2-phenyl-quinolin-4-yl)carbonylamino]-2-(1-oxidanidylpyridin-1-ium-3-yl)ethanoate Openeye Name: methyl 2-[(3-amino-2-phenyl-quinoline-4-carbonyl)amino]-2-(1-oxidopyridin-1-ium-3-yl)acetate CAS Name: 2-[[(3-amino-2-phenyl-4-quinolinyl)-oxomethyl]amino]-2-(1-oxido-3-pyridin-1-iumyl)acetic acid methyl ester IUPAC Name: methyl 2-[(3-amino-2-phenylquinoline-4-carbonyl)amino]-2-(1-oxidopyridin-1-ium-3-yl)acetate Traditional Name: 2-[(3-amino-2-phenyl-quinoline-4-carbonyl)amino]-2-(1-oxidopyridin-1-ium-3-yl)acetic acid methyl ester Formula: C24H20N4O4 MolecularWeight: 428.44

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=C[N+](=CC=C1)[O-])NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)N

Isomeric SMILES

COC(=O)C(C1=C[N+](=CC=C1)[O-])NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)N

InChI

InChI=1S/C24H20N4O4/c1-32-24(30)22(16-10-7-13-28(31)14-16)27-23(29)19-17-11-5-6-12-18(17)26-21(20(19)25)15-8-3-2-4-9-15/h2-14,22H,25H2,1H3,(H,27,29)