1-[5-(3-azanylpropoxy)-2-chloranyl-phenyl]-3-(1-oxidanidyl-1,2,4-benzotriazin-1-ium-3-yl)urea

Systemtic Name: 1-[5-(3-azanylpropoxy)-2-chloranyl-phenyl]-3-(1-oxidanidyl-1,2,4-benzotriazin-1-ium-3-yl)urea Openeye Name: 1-[5-(3-aminopropoxy)-2-chloro-phenyl]-3-(1-oxido-1,2,4-benzotriazin-1-ium-3-yl)urea CAS Name: 1-[5-(3-aminopropoxy)-2-chlorophenyl]-3-(1-oxido-1,2,4-benzotriazin-1-ium-3-yl)urea IUPAC Name: 1-[5-(3-aminopropoxy)-2-chlorophenyl]-3-(1-oxido-1,2,4-benzotriazin-1-ium-3-yl)urea Traditional Name: 1-[5-(3-aminopropoxy)-2-chloro-phenyl]-3-(1-oxido-1,2,4-benzotriazin-1-ium-3-yl)urea Formula: C17H17ClN6O3 MolecularWeight: 388.80828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17ClN6O3/c18-12-7-6-11(27-9-3-8-19)10-14(12)21-17(25)22-16-20-13-4-1-2-5-15(13)24(26)23-16/h1-2,4-7,10H,3,8-9,19H2,(H2,20,21,22,23,25)