methyl N-[(E)-pyridin-4-ylmethylideneamino]carbamate hydrate

Systemtic Name: methyl N-[(E)-pyridin-4-ylmethylideneamino]carbamate hydrate Openeye Name: methyl N-[(E)-4-pyridylmethyleneamino]carbamate hydrate CAS Name: N-[(E)-pyridin-4-ylmethylideneamino]carbamic acid methyl ester hydrate IUPAC Name: methyl N-[(E)-pyridin-4-ylmethylideneamino]carbamate hydrate Traditional Name: N-[(E)-4-pyridylmethyleneamino]carbamic acid methyl ester hydrate Formula: C8H11N3O3 MolecularWeight: 197.19124

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NN=CC1=CC=NC=C1.O

Isomeric SMILES

COC(=O)N/N=C/C1=CC=NC=C1.O

InChI

InChI=1S/C8H9N3O2.H2O/c1-13-8(12)11-10-6-7-2-4-9-5-3-7;/h2-6H,1H3,(H,11,12);1H2/b10-6+;