4-methoxy-3-nitro-benzamide; 4-phenylbutanoic acid

Systemtic Name: 4-methoxy-3-nitro-benzamide; 4-phenylbutanoic acid Openeye Name: 4-methoxy-3-nitro-benzamide; 4-phenylbutanoic acid CAS Name: 4-methoxy-3-nitrobenzamide; 4-phenylbutanoic acid IUPAC Name: 4-methoxy-3-nitrobenzamide; 4-phenylbutanoic acid Traditional Name: 4-methoxy-3-nitro-benzamide; 4-phenylbutyric acid Formula: C18H20N2O6 MolecularWeight: 360.3612

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N)[N+](=O)[O-].C1=CC=C(C=C1)CCCC(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N)[N+](=O)[O-].C1=CC=C(C=C1)CCCC(=O)O

InChI

InChI=1S/C10H12O2.C8H8N2O4/c11-10(12)8-4-7-9-5-2-1-3-6-9;1-14-7-3-2-5(8(9)11)4-6(7)10(12)13/h1-3,5-6H,4,7-8H2,(H,11,12);2-4H,1H3,(H2,9,11)