4-[ethyl-[(5-nitro-2-phenylmethoxy-phenyl)methyl]amino]benzoic acid

Systemtic Name: 4-[ethyl-[(5-nitro-2-phenylmethoxy-phenyl)methyl]amino]benzoic acid Openeye Name: 4-[(2-benzyloxy-5-nitro-phenyl)methyl-ethyl-amino]benzoic acid CAS Name: 4-[ethyl-[(5-nitro-2-phenylmethoxyphenyl)methyl]amino]benzoic acid IUPAC Name: 4-[ethyl-[(5-nitro-2-phenylmethoxyphenyl)methyl]amino]benzoic acid Traditional Name: 4-[(2-benzoxy-5-nitro-benzyl)-ethyl-amino]benzoic acid Formula: C23H22N2O5 MolecularWeight: 406.43118

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=C(C=CC(=C1)[N+](=O)[O-])OCC2=CC=CC=C2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCN(CC1=C(C=CC(=C1)[N+](=O)[O-])OCC2=CC=CC=C2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C23H22N2O5/c1-2-24(20-10-8-18(9-11-20)23(26)27)15-19-14-21(25(28)29)12-13-22(19)30-16-17-6-4-3-5-7-17/h3-14H,2,15-16H2,1H3,(H,26,27)