1-phenylethyl 4-chloranyl-2-nitro-benzoate

Systemtic Name: 1-phenylethyl 4-chloranyl-2-nitro-benzoate Openeye Name: 1-phenylethyl 4-chloro-2-nitro-benzoate CAS Name: 4-chloro-2-nitrobenzoic acid 1-phenylethyl ester IUPAC Name: 1-phenylethyl 4-chloro-2-nitrobenzoate Traditional Name: 4-chloro-2-nitro-benzoic acid 1-phenylethyl ester Formula: C15H12ClNO4 MolecularWeight: 305.71308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)OC(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC=CC=C1)OC(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C15H12ClNO4/c1-10(11-5-3-2-4-6-11)21-15(18)13-8-7-12(16)9-14(13)17(19)20/h2-10H,1H3