1-chloranyl-2-phenyl-benzene; 1,3-diazabicyclo[2.1.0]penta-2,4-diene; ethanal

Systemtic Name: 1-chloranyl-2-phenyl-benzene; 1,3-diazabicyclo[2.1.0]penta-2,4-diene; ethanal Openeye Name: acetaldehyde; 1-chloro-2-phenyl-benzene; 1,3-diazabicyclo[2.1.0]penta-2,4-diene CAS Name: acetaldehyde; 1-chloro-2-phenylbenzene; 1,3-diazabicyclo[2.1.0]penta-2,4-diene IUPAC Name: acetaldehyde; 1-chloro-2-phenylbenzene; 1,3-diazabicyclo[2.1.0]penta-2,4-diene Traditional Name: acetaldehyde; 1-chloro-2-phenyl-benzene; 1,3-diazabicyclo[2.1.0]penta-2,4-diene Formula: C17H15ClN2O MolecularWeight: 298.7668

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Descriptors Computed from Structure

Canonical SMILES:

CC=O.C1=CC=C(C=C1)C2=CC=CC=C2Cl.C1=C2N1C=N2

Isomeric SMILES

CC=O.C1=CC=C(C=C1)C2=CC=CC=C2Cl.C1=C2N1C=N2

InChI

InChI=1S/C12H9Cl.C3H2N2.C2H4O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-3-4-2-5(1)3;1-2-3/h1-9H;1-2H;2H,1H3