(4E)-2-(aminomethyl)-6-iodanyl-4-[1-(oxidanylamino)propylidene]cyclohexa-2,5-dien-1-one hydrate

Systemtic Name: (4E)-2-(aminomethyl)-6-iodanyl-4-[1-(oxidanylamino)propylidene]cyclohexa-2,5-dien-1-one hydrate Openeye Name: (4E)-2-(aminomethyl)-4-[1-(hydroxyamino)propylidene]-6-iodo-cyclohexa-2,5-dien-1-one hydrate CAS Name: (4E)-2-(aminomethyl)-4-[1-(hydroxyamino)propylidene]-6-iodo-1-cyclohexa-2,5-dienone hydrate IUPAC Name: (4E)-2-(aminomethyl)-4-[1-(hydroxyamino)propylidene]-6-iodocyclohexa-2,5-dien-1-one hydrate Traditional Name: (4E)-2-(aminomethyl)-4-[1-(hydroxyamino)propylidene]-6-iodo-cyclohexa-2,5-dien-1-one hydrate Formula: C10H15IN2O3 MolecularWeight: 338.14217

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C1C=C(C(=O)C(=C1)I)CN)NO.O

Isomeric SMILES

CC/C(=C\1/C=C(C(=O)C(=C1)I)CN)/NO.O

InChI

InChI=1S/C10H13IN2O2.H2O/c1-2-9(13-15)6-3-7(5-12)10(14)8(11)4-6;/h3-4,13,15H,2,5,12H2,1H3;1H2/b9-6+;