4-azanyl-5-chloranyl-2-(2-diazanyl-2-oxidanylidene-ethoxy)-N-(2-diethylaminoethyl)benzamide trihydrate

Systemtic Name: 4-azanyl-5-chloranyl-2-(2-diazanyl-2-oxidanylidene-ethoxy)-N-(2-diethylaminoethyl)benzamide trihydrate Openeye Name: 4-amino-5-chloro-N-(2-diethylaminoethyl)-2-(2-hydrazino-2-oxo-ethoxy)benzamide trihydrate CAS Name: 4-amino-5-chloro-N-(2-diethylaminoethyl)-2-(2-hydrazinyl-2-oxoethoxy)benzamide trihydrate IUPAC Name: 4-amino-5-chloro-N-(2-diethylaminoethyl)-2-(2-hydrazinyl-2-oxoethoxy)benzamide trihydrate Traditional Name: 4-amino-5-chloro-N-(2-diethylaminoethyl)-2-(2-hydrazino-2-keto-ethoxy)benzamide trihydrate Formula: C15H30ClN5O6 MolecularWeight: 411.8816

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(=O)C1=CC(=C(C=C1OCC(=O)NN)N)Cl.O.O.O

Isomeric SMILES

CCN(CC)CCNC(=O)C1=CC(=C(C=C1OCC(=O)NN)N)Cl.O.O.O

InChI

InChI=1S/C15H24ClN5O3.3H2O/c1-3-21(4-2)6-5-19-15(23)10-7-11(16)12(17)8-13(10)24-9-14(22)20-18;;;/h7-8H,3-6,9,17-18H2,1-2H3,(H,19,23)(H,20,22);3*1H2