2-ethoxy-3-[4-[2-(6-nitro-4-oxidanylidene-2H-1,3-benzoxazin-3-yl)ethoxy]phenyl]propanoic acid

Systemtic Name: 2-ethoxy-3-[4-[2-(6-nitro-4-oxidanylidene-2H-1,3-benzoxazin-3-yl)ethoxy]phenyl]propanoic acid Openeye Name: 2-ethoxy-3-[4-[2-(6-nitro-4-oxo-2H-1,3-benzoxazin-3-yl)ethoxy]phenyl]propanoic acid CAS Name: 2-ethoxy-3-[4-[2-(6-nitro-4-oxo-2H-1,3-benzoxazin-3-yl)ethoxy]phenyl]propanoic acid IUPAC Name: 2-ethoxy-3-[4-[2-(6-nitro-4-oxo-2H-1,3-benzoxazin-3-yl)ethoxy]phenyl]propanoic acid Traditional Name: 2-ethoxy-3-[4-[2-(4-keto-6-nitro-2H-1,3-benzoxazin-3-yl)ethoxy]phenyl]propionic acid Formula: C21H22N2O8 MolecularWeight: 430.40798

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC1=CC=C(C=C1)OCCN2COC3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCOC(CC1=CC=C(C=C1)OCCN2COC3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C21H22N2O8/c1-2-29-19(21(25)26)11-14-3-6-16(7-4-14)30-10-9-22-13-31-18-8-5-15(23(27)28)12-17(18)20(22)24/h3-8,12,19H,2,9-11,13H2,1H3,(H,25,26)