methyl 2-[[2-[(3-methyl-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-yl)carbonylamino]-3-phenyl-propanoyl]amino]ethanoate

Systemtic Name: methyl 2-[[2-[(3-methyl-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-yl)carbonylamino]-3-phenyl-propanoyl]amino]ethanoate Openeye Name: methyl 2-[[2-[(3-methyl-4-oxido-1-oxo-quinoxalin-1-ium-2-carbonyl)amino]-3-phenyl-propanoyl]amino]acetate CAS Name: 2-[[2-[[(3-methyl-4-oxido-1-oxo-2-quinoxalin-1-iumyl)-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-[(3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-carbonyl)amino]-3-phenylpropanoyl]amino]acetate Traditional Name: 2-[[2-[(1-keto-3-methyl-4-oxido-quinoxalin-1-ium-2-carbonyl)amino]-3-phenyl-propanoyl]amino]acetic acid methyl ester Formula: C22H22N4O6 MolecularWeight: 438.43328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)NC(CC3=CC=CC=C3)C(=O)NCC(=O)OC

Isomeric SMILES

CC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)NC(CC3=CC=CC=C3)C(=O)NCC(=O)OC

InChI

InChI=1S/C22H22N4O6/c1-14-20(26(31)18-11-7-6-10-17(18)25(14)30)22(29)24-16(12-15-8-4-3-5-9-15)21(28)23-13-19(27)32-2/h3-11,16H,12-13H2,1-2H3,(H,23,28)(H,24,29)