(E)-N-(2-hydroxyethyl)-3-(4-nitrophenyl)prop-2-enamide hydrate

Systemtic Name: (E)-N-(2-hydroxyethyl)-3-(4-nitrophenyl)prop-2-enamide hydrate Openeye Name: (E)-N-(2-hydroxyethyl)-3-(4-nitrophenyl)prop-2-enamide hydrate CAS Name: (E)-N-(2-hydroxyethyl)-3-(4-nitrophenyl)-2-propenamide hydrate IUPAC Name: (E)-N-(2-hydroxyethyl)-3-(4-nitrophenyl)prop-2-enamide hydrate Traditional Name: (E)-N-(2-hydroxyethyl)-3-(4-nitrophenyl)acrylamide hydrate Formula: C11H14N2O5 MolecularWeight: 254.23926

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC(=O)NCCO)[N+](=O)[O-].O

Isomeric SMILES

C1=CC(=CC=C1/C=C/C(=O)NCCO)[N+](=O)[O-].O

InChI

InChI=1S/C11H12N2O4.H2O/c14-8-7-12-11(15)6-3-9-1-4-10(5-2-9)13(16)17;/h1-6,14H,7-8H2,(H,12,15);1H2/b6-3+;