(3E)-1-[2-(3-azanylpropoxy)-5-chloranyl-phenyl]-3-(4-oxidanidyl-1-oxidanyl-quinoxalin-4-ium-2-ylidene)urea

Systemtic Name: (3E)-1-[2-(3-azanylpropoxy)-5-chloranyl-phenyl]-3-(4-oxidanidyl-1-oxidanyl-quinoxalin-4-ium-2-ylidene)urea Openeye Name: (3E)-1-[2-(3-aminopropoxy)-5-chloro-phenyl]-3-(1-hydroxy-4-oxido-quinoxalin-4-ium-2-ylidene)urea CAS Name: (3E)-1-[2-(3-aminopropoxy)-5-chlorophenyl]-3-(1-hydroxy-4-oxido-2-quinoxalin-4-iumylidene)urea IUPAC Name: (3E)-1-[2-(3-aminopropoxy)-5-chlorophenyl]-3-(1-hydroxy-4-oxidoquinoxalin-4-ium-2-ylidene)urea Traditional Name: (3E)-1-[2-(3-aminopropoxy)-5-chloro-phenyl]-3-(1-hydroxy-4-oxido-quinoxalin-4-ium-2-ylidene)urea Formula: C18H18ClN5O4 MolecularWeight: 403.81962

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=NC(=O)NC3=C(C=CC(=C3)Cl)OCCCN)C=[N+]2[O-])O

Isomeric SMILES

C1=CC=C2C(=C1)N(/C(=N/C(=O)NC3=C(C=CC(=C3)Cl)OCCCN)/C=[N+]2[O-])O

InChI

InChI=1S/C18H18ClN5O4/c19-12-6-7-16(28-9-3-8-20)13(10-12)21-18(25)22-17-11-23(26)14-4-1-2-5-15(14)24(17)27/h1-2,4-7,10-11,27H,3,8-9,20H2,(H,21,25)/b22-17+