3-(4-chloranyl-2-nitro-3-phenylmethoxy-phenyl)-2-oxidanylidene-propanoate

Systemtic Name: 3-(4-chloranyl-2-nitro-3-phenylmethoxy-phenyl)-2-oxidanylidene-propanoate Openeye Name: 3-(3-benzyloxy-4-chloro-2-nitro-phenyl)-2-oxo-propanoate CAS Name: 3-(4-chloro-2-nitro-3-phenylmethoxyphenyl)-2-oxopropanoate IUPAC Name: 3-(4-chloro-2-nitro-3-phenylmethoxyphenyl)-2-oxopropanoate Traditional Name: 3-(3-benzoxy-4-chloro-2-nitro-phenyl)-2-keto-propionate Formula: C16H11ClNO6- MolecularWeight: 348.71464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=CC(=C2[N+](=O)[O-])CC(=O)C(=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=CC(=C2[N+](=O)[O-])CC(=O)C(=O)[O-])Cl

InChI

InChI=1S/C16H12ClNO6/c17-12-7-6-11(8-13(19)16(20)21)14(18(22)23)15(12)24-9-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,20,21)/p-1