3-[(5-nitro-2-phenylmethoxy-phenyl)amino]-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[(5-nitro-2-phenylmethoxy-phenyl)amino]-3-oxidanylidene-propanoic acid Openeye Name: 3-(2-benzyloxy-5-nitro-anilino)-3-oxo-propanoic acid CAS Name: 3-(5-nitro-2-phenylmethoxyanilino)-3-oxopropanoic acid IUPAC Name: 3-(5-nitro-2-phenylmethoxyanilino)-3-oxopropanoic acid Traditional Name: 3-(2-benzoxy-5-nitro-anilino)-3-keto-propionic acid Formula: C16H14N2O6 MolecularWeight: 330.29216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O6/c19-15(9-16(20)21)17-13-8-12(18(22)23)6-7-14(13)24-10-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,17,19)(H,20,21)