3-nitroso-4-[(phenylmethyl)amino]pent-3-en-2-one

Systemtic Name: 3-nitroso-4-[(phenylmethyl)amino]pent-3-en-2-one Openeye Name: 4-(benzylamino)-3-nitroso-pent-3-en-2-one CAS Name: 3-nitroso-4-[(phenylmethyl)amino]-3-penten-2-one IUPAC Name: 4-(benzylamino)-3-nitrosopent-3-en-2-one Traditional Name: 4-(benzylamino)-3-nitroso-pent-3-en-2-one Formula: C12H14N2O2 MolecularWeight: 218.25176

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)C)N=O)NCC1=CC=CC=C1

Isomeric SMILES

CC(=C(C(=O)C)N=O)NCC1=CC=CC=C1

InChI

InChI=1S/C12H14N2O2/c1-9(12(14-16)10(2)15)13-8-11-6-4-3-5-7-11/h3-7,13H,8H2,1-2H3