1-[(E)-(2,3-dimethyl-1-oxidanidyl-4-oxidanyl-quinoxalin-1-ium-6-ylidene)methyl]imino-3-phenethyl-urea

Systemtic Name: 1-[(E)-(2,3-dimethyl-1-oxidanidyl-4-oxidanyl-quinoxalin-1-ium-6-ylidene)methyl]imino-3-phenethyl-urea Openeye Name: 1-[(E)-(4-hydroxy-2,3-dimethyl-1-oxido-quinoxalin-1-ium-6-ylidene)methyl]imino-3-phenethyl-urea CAS Name: 1-[(E)-(4-hydroxy-2,3-dimethyl-1-oxido-6-quinoxalin-1-iumylidene)methyl]imino-3-phenethylurea IUPAC Name: 1-[(E)-(4-hydroxy-2,3-dimethyl-1-oxidoquinoxalin-1-ium-6-ylidene)methyl]imino-3-phenethylurea Traditional Name: 1-[(E)-(4-hydroxy-2,3-dimethyl-1-oxido-quinoxalin-1-ium-6-ylidene)methyl]imino-3-phenethyl-urea Formula: C20H21N5O3 MolecularWeight: 379.41244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([N+](=C2C=CC(=CN=NC(=O)NCCC3=CC=CC=C3)C=C2N1O)[O-])C

Isomeric SMILES

CC1=C([N+](=C2C=C/C(=C\N=NC(=O)NCCC3=CC=CC=C3)/C=C2N1O)[O-])C

InChI

InChI=1S/C20H21N5O3/c1-14-15(2)25(28)19-12-17(8-9-18(19)24(14)27)13-22-23-20(26)21-11-10-16-6-4-3-5-7-16/h3-9,12-13,28H,10-11H2,1-2H3,(H,21,26)/b17-13+,23-22?