3-(4-carboxy-2-methoxy-5-nitro-phenoxy)propanoate; prop-1-ene

Systemtic Name: 3-(4-carboxy-2-methoxy-5-nitro-phenoxy)propanoate; prop-1-ene Openeye Name: 3-(4-carboxy-2-methoxy-5-nitro-phenoxy)propanoate; prop-1-ene CAS Name: 3-(4-carboxy-2-methoxy-5-nitrophenoxy)propanoate; 1-propene IUPAC Name: 3-(4-carboxy-2-methoxy-5-nitrophenoxy)propanoate; prop-1-ene Traditional Name: 3-(4-carboxy-2-methoxy-5-nitro-phenoxy)propionate; prop-1-ene Formula: C14H16NO8- MolecularWeight: 326.27874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11NO8.C3H6/c1-19-8-4-6(11(15)16)7(12(17)18)5-9(8)20-3-2-10(13)14;1-3-2/h4-5H,2-3H2,1H3,(H,13,14)(H,15,16);3H,1H2,2H3/p-1